PubChemLite - 1h-benzimidazole-2-acetic acid, 1-[(4-chlorophenyl)methyl]-5-(methoxycarbonyl)-, 2-ethyl-2-(1-methylethyl)hydrazide (C23H27ClN4O3)

Structural Information

Molecular Formula

SMILES

CCN(C(C)C)NC(=O)CC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C=CC(=C2)C(=O)OC

InChI

InChI=1S/C23H27ClN4O3/c1-5-28(15(2)3)26-22(29)13-21-25-19-12-17(23(30)31-4)8-11-20(19)27(21)14-16-6-9-18(24)10-7-16/h6-12,15H,5,13-14H2,1-4H3,(H,26,29)

InChIKey

UYNRWAJGWOMSNX-UHFFFAOYSA-N

Compound name

methyl 1-[(4-chlorophenyl)methyl]-2-[2-(2-ethyl-2-propan-2-ylhydrazinyl)-2-oxoethyl]benzimidazole-5-carboxylate

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]+	443.18443	207.7
[M+Na]+	465.16637	214.4
[M-H]-	441.16987	214.4
[M+NH4]+	460.21097	218.1
[M+K]+	481.14031	209.9
[M+H-H2O]+	425.17441	198.0
[M+HCOO]-	487.17535	224.2
[M+CH3COO]-	501.19100	238.5
[M+Na-2H]-	463.15182	206.4
[M]+	442.17660	216.5
[M]-	442.17770	216.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

443.18443

207.7

[M+Na]+

465.16637

214.4

[M-H]-

441.16987

214.4

[M+NH4]+

460.21097

218.1

[M+K]+

481.14031

209.9

[M+H-H2O]+

425.17441

198.0

[M+HCOO]-

487.17535

224.2

[M+CH3COO]-

501.19100

238.5

[M+Na-2H]-

463.15182

206.4

[M]+

442.17660

216.5

[M]-

442.17770

216.5

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

1h-benzimidazole-2-acetic acid, 1-[(4-chlorophenyl)methyl]-5-(methoxycarbonyl)-, 2-ethyl-2-(1-methylethyl)hydrazide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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