CID 5274467

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

Structural Information

Molecular Formula
C21H23ClN4O3
SMILES
CCN(C)NC(=O)CC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C=CC(=C2)C(=O)OC
InChI
InChI=1S/C21H23ClN4O3/c1-4-25(2)24-20(27)12-19-23-17-11-15(21(28)29-3)7-10-18(17)26(19)13-14-5-8-16(22)9-6-14/h5-11H,4,12-13H2,1-3H3,(H,24,27)
InChIKey
KMJRAEQXCSFLQX-UHFFFAOYSA-N
Compound name
methyl 1-[(4-chlorophenyl)methyl]-2-[2-(2-ethyl-2-methylhydrazinyl)-2-oxoethyl]benzimidazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

414.14587 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.15315 199.1
[M+Na]+ 437.13509 207.0
[M-H]- 413.13859 206.0
[M+NH4]+ 432.17969 210.7
[M+K]+ 453.10903 202.3
[M+H-H2O]+ 397.14313 189.5
[M+HCOO]- 459.14407 217.2
[M+CH3COO]- 473.15972 231.9
[M+Na-2H]- 435.12054 199.8
[M]+ 414.14532 207.7
[M]- 414.14642 207.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.