CID 490846

1-pyrrolidinebutanoic acid, 3-[[[1-cyclohexyl-2-(3-furanyl)-1h-benzimidazol-5-yl]carbonyl]amino]-g-oxo-

Structural Information

Molecular Formula
C26H30N4O5
SMILES
C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC4CCN(C4)C(=O)CCC(=O)O)N=C2C5=COC=C5
InChI
InChI=1S/C26H30N4O5/c31-23(8-9-24(32)33)29-12-10-19(15-29)27-26(34)17-6-7-22-21(14-17)28-25(18-11-13-35-16-18)30(22)20-4-2-1-3-5-20/h6-7,11,13-14,16,19-20H,1-5,8-10,12,15H2,(H,27,34)(H,32,33)
InChIKey
RJACVRQEDQNQEA-UHFFFAOYSA-N
Compound name
4-[3-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]pyrrolidin-1-yl]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.22162 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.22890 209.7
[M+Na]+ 501.21084 211.1
[M-H]- 477.21434 219.2
[M+NH4]+ 496.25544 216.0
[M+K]+ 517.18478 208.5
[M+H-H2O]+ 461.21888 200.7
[M+HCOO]- 523.21982 222.1
[M+CH3COO]- 537.23547 215.9
[M+Na-2H]- 499.19629 202.0
[M]+ 478.22107 207.8
[M]- 478.22217 207.8
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.