CID 490875

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

Structural Information

Molecular Formula
C32H36N4O5
SMILES
C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC4CCN(CC4)CC5=CC=CC=C5OCC(=O)O)N=C2C6=COC=C6
InChI
InChI=1S/C32H36N4O5/c37-30(38)21-41-29-9-5-4-6-23(29)19-35-15-12-25(13-16-35)33-32(39)22-10-11-28-27(18-22)34-31(24-14-17-40-20-24)36(28)26-7-2-1-3-8-26/h4-6,9-11,14,17-18,20,25-26H,1-3,7-8,12-13,15-16,19,21H2,(H,33,39)(H,37,38)
InChIKey
VPPGTWQIGCWRAQ-UHFFFAOYSA-N
Compound name
2-[2-[[4-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]piperidin-1-yl]methyl]phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

556.26855 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 557.27583 227.4
[M+Na]+ 579.25777 227.2
[M-H]- 555.26127 238.2
[M+NH4]+ 574.30237 227.7
[M+K]+ 595.23171 222.8
[M+H-H2O]+ 539.26581 214.8
[M+HCOO]- 601.26675 236.9
[M+CH3COO]- 615.28240 231.2
[M+Na-2H]- 577.24322 220.8
[M]+ 556.26800 223.7
[M]- 556.26910 223.7
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.