CID 490892

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

Structural Information

Molecular Formula
C33H38N4O5
SMILES
C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NCC4CCN(CC4)CC5=CC=C(C=C5)OCC(=O)O)N=C2C6=COC=C6
InChI
InChI=1S/C33H38N4O5/c38-31(39)22-42-28-9-6-24(7-10-28)20-36-15-12-23(13-16-36)19-34-33(40)25-8-11-30-29(18-25)35-32(26-14-17-41-21-26)37(30)27-4-2-1-3-5-27/h6-11,14,17-18,21,23,27H,1-5,12-13,15-16,19-20,22H2,(H,34,40)(H,38,39)
InChIKey
IYHODJUSTRYUFF-UHFFFAOYSA-N
Compound name
2-[4-[[4-[[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]methyl]piperidin-1-yl]methyl]phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

570.28424 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.29152 231.3
[M+Na]+ 593.27346 230.6
[M-H]- 569.27696 241.9
[M+NH4]+ 588.31806 231.1
[M+K]+ 609.24740 226.1
[M+H-H2O]+ 553.28150 218.6
[M+HCOO]- 615.28244 240.5
[M+CH3COO]- 629.29809 234.7
[M+Na-2H]- 591.25891 224.3
[M]+ 570.28369 227.9
[M]- 570.28479 227.9
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.