CID 490817

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

Structural Information

Molecular Formula
C25H29N5O5
SMILES
C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC4CCN(C4)C(=O)NCC(=O)O)N=C2C5=COC=C5
InChI
InChI=1S/C25H29N5O5/c31-22(32)13-26-25(34)29-10-8-18(14-29)27-24(33)16-6-7-21-20(12-16)28-23(17-9-11-35-15-17)30(21)19-4-2-1-3-5-19/h6-7,9,11-12,15,18-19H,1-5,8,10,13-14H2,(H,26,34)(H,27,33)(H,31,32)
InChIKey
LZCBFPWVCSQVSI-UHFFFAOYSA-N
Compound name
2-[[3-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]pyrrolidine-1-carbonyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.21686 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.22414 206.7
[M+Na]+ 502.20608 207.6
[M-H]- 478.20958 216.4
[M+NH4]+ 497.25068 212.7
[M+K]+ 518.18002 205.4
[M+H-H2O]+ 462.21412 197.6
[M+HCOO]- 524.21506 220.6
[M+CH3COO]- 538.23071 212.9
[M+Na-2H]- 500.19153 200.9
[M]+ 479.21631 204.0
[M]- 479.21741 204.0
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.