CID 73755260

2-(benzoylamino)-1-(3-phenylpropyl)-1h-benzimidazole-5-carboxylic acid

Structural Information

Molecular Formula
C24H21N3O3
SMILES
C1=CC=C(C=C1)CCCN2C3=C(C=C(C=C3)C(=O)O)N=C2NC(=O)C4=CC=CC=C4
InChI
InChI=1S/C24H21N3O3/c28-22(18-11-5-2-6-12-18)26-24-25-20-16-19(23(29)30)13-14-21(20)27(24)15-7-10-17-8-3-1-4-9-17/h1-6,8-9,11-14,16H,7,10,15H2,(H,29,30)(H,25,26,28)
InChIKey
WPXMEOBILYVKBC-UHFFFAOYSA-N
Compound name
2-benzamido-1-(3-phenylpropyl)benzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

12
Patents

399.1583 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.16558 195.3
[M+Na]+ 422.14752 201.6
[M-H]- 398.15102 202.3
[M+NH4]+ 417.19212 204.5
[M+K]+ 438.12146 195.0
[M+H-H2O]+ 382.15556 184.4
[M+HCOO]- 444.15650 215.1
[M+CH3COO]- 458.17215 204.0
[M+Na-2H]- 420.13297 197.6
[M]+ 399.15775 197.1
[M]- 399.15885 197.1
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

patents stripe