PubChemLite - 1-cycloheptyl-2-[ethyl(m-tolylmethyl)amino]-n-(2-hydroxy-1-methyl-ethyl)benzimidazole-5-carboxamide (C28H38N4O2)

Structural Information

Molecular Formula

SMILES

CCN(CC1=CC=CC(=C1)C)C2=NC3=C(N2C4CCCCCC4)C=CC(=C3)C(=O)NC(C)CO

InChI

InChI=1S/C28H38N4O2/c1-4-31(18-22-11-9-10-20(2)16-22)28-30-25-17-23(27(34)29-21(3)19-33)14-15-26(25)32(28)24-12-7-5-6-8-13-24/h9-11,14-17,21,24,33H,4-8,12-13,18-19H2,1-3H3,(H,29,34)

InChIKey

KQXPMALDBDBOTQ-UHFFFAOYSA-N

Compound name

1-cycloheptyl-2-[ethyl-[(3-methylphenyl)methyl]amino]-N-(1-hydroxypropan-2-yl)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]+	463.30675	216.8
[M+Na]+	485.28869	218.1
[M-H]-	461.29219	225.1
[M+NH4]+	480.33329	223.8
[M+K]+	501.26263	217.8
[M+H-H2O]+	445.29673	205.9
[M+HCOO]-	507.29767	232.0
[M+CH3COO]-	521.31332	241.0
[M+Na-2H]-	483.27414	213.3
[M]+	462.29892	213.4
[M]-	462.30002	213.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

463.30675

216.8

[M+Na]+

485.28869

218.1

[M-H]-

461.29219

225.1

[M+NH4]+

480.33329

223.8

[M+K]+

501.26263

217.8

[M+H-H2O]+

445.29673

205.9

[M+HCOO]-

507.29767

232.0

[M+CH3COO]-

521.31332

241.0

[M+Na-2H]-

483.27414

213.3

[M]+

462.29892

213.4

[M]-

462.30002

213.4

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

1-cycloheptyl-2-[ethyl(m-tolylmethyl)amino]-n-(2-hydroxy-1-methyl-ethyl)benzimidazole-5-carboxamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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