PubChemLite - 1h-benzimidazole-6-carboxamide, 2-[(cyclohexylcarbonyl)amino]-1-methyl-n-[2-[(2-naphthalenylmethyl)amino]ethyl]- (C29H33N5O2)

Structural Information

Molecular Formula

SMILES

CN1C2=C(C=CC(=C2)C(=O)NCCNCC3=CC4=CC=CC=C4C=C3)N=C1NC(=O)C5CCCCC5

InChI

InChI=1S/C29H33N5O2/c1-34-26-18-24(13-14-25(26)32-29(34)33-28(36)22-8-3-2-4-9-22)27(35)31-16-15-30-19-20-11-12-21-7-5-6-10-23(21)17-20/h5-7,10-14,17-18,22,30H,2-4,8-9,15-16,19H2,1H3,(H,31,35)(H,32,33,36)

InChIKey

XEFUCZDCQLGPEM-UHFFFAOYSA-N

Compound name

2-(cyclohexanecarbonylamino)-3-methyl-N-[2-(naphthalen-2-ylmethylamino)ethyl]benzimidazole-5-carboxamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	484.27071	213.5
[M+Na]+	506.25265	215.4
[M-H]-	482.25615	221.0
[M+NH4]+	501.29725	220.0
[M+K]+	522.22659	208.6
[M+H-H2O]+	466.26069	201.3
[M+HCOO]-	528.26163	230.2
[M+CH3COO]-	542.27728	219.2
[M+Na-2H]-	504.23810	215.1
[M]+	483.26288	211.1
[M]-	483.26398	211.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

484.27071

213.5

[M+Na]+

506.25265

215.4

[M-H]-

482.25615

221.0

[M+NH4]+

501.29725

220.0

[M+K]+

522.22659

208.6

[M+H-H2O]+

466.26069

201.3

[M+HCOO]-

528.26163

230.2

[M+CH3COO]-

542.27728

219.2

[M+Na-2H]-

504.23810

215.1

[M]+

483.26288

211.1

[M]-

483.26398

211.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

1h-benzimidazole-6-carboxamide, 2-[(cyclohexylcarbonyl)amino]-1-methyl-n-[2-[(2-naphthalenylmethyl)amino]ethyl]-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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