CID 490820

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

Structural Information

Molecular Formula
C26H31N5O5
SMILES
C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC4CCCN(C4)C(=O)NCC(=O)O)N=C2C5=COC=C5
InChI
InChI=1S/C26H31N5O5/c32-23(33)14-27-26(35)30-11-4-5-19(15-30)28-25(34)17-8-9-22-21(13-17)29-24(18-10-12-36-16-18)31(22)20-6-2-1-3-7-20/h8-10,12-13,16,19-20H,1-7,11,14-15H2,(H,27,35)(H,28,34)(H,32,33)
InChIKey
LLHBCEWDDHMJBN-UHFFFAOYSA-N
Compound name
2-[[3-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]piperidine-1-carbonyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

493.2325 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.23978 211.4
[M+Na]+ 516.22172 211.3
[M-H]- 492.22522 219.7
[M+NH4]+ 511.26632 214.7
[M+K]+ 532.19566 208.3
[M+H-H2O]+ 476.22976 200.6
[M+HCOO]- 538.23070 222.5
[M+CH3COO]- 552.24635 216.3
[M+Na-2H]- 514.20717 206.8
[M]+ 493.23195 206.5
[M]- 493.23305 206.5
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.