CID 490737

2-(4-chlorophenyl)-2-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]acetic acid

Structural Information

Molecular Formula
C26H24ClN3O4
SMILES
C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC(C4=CC=C(C=C4)Cl)C(=O)O)N=C2C5=COC=C5
InChI
InChI=1S/C26H24ClN3O4/c27-19-9-6-16(7-10-19)23(26(32)33)29-25(31)17-8-11-22-21(14-17)28-24(18-12-13-34-15-18)30(22)20-4-2-1-3-5-20/h6-15,20,23H,1-5H2,(H,29,31)(H,32,33)
InChIKey
QYDVZEBCQUIMRK-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

477.14554 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.15282 211.1
[M+Na]+ 500.13476 215.7
[M-H]- 476.13826 221.7
[M+NH4]+ 495.17936 218.0
[M+K]+ 516.10870 210.7
[M+H-H2O]+ 460.14280 201.4
[M+HCOO]- 522.14374 221.7
[M+CH3COO]- 536.15939 218.4
[M+Na-2H]- 498.12021 207.1
[M]+ 477.14499 212.4
[M]- 477.14609 212.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.