CID 490793

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

Structural Information

Molecular Formula
C26H25N3O4
SMILES
C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC4=CC=C(C=C4)CC(=O)O)N=C2C5=COC=C5
InChI
InChI=1S/C26H25N3O4/c30-24(31)14-17-6-9-20(10-7-17)27-26(32)18-8-11-23-22(15-18)28-25(19-12-13-33-16-19)29(23)21-4-2-1-3-5-21/h6-13,15-16,21H,1-5,14H2,(H,27,32)(H,30,31)
InChIKey
YLOUTMPGMMRJIB-UHFFFAOYSA-N
Compound name
2-[4-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.1845 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.19178 203.3
[M+Na]+ 466.17372 207.5
[M-H]- 442.17722 214.0
[M+NH4]+ 461.21832 210.7
[M+K]+ 482.14766 203.0
[M+H-H2O]+ 426.18176 193.2
[M+HCOO]- 488.18270 219.5
[M+CH3COO]- 502.19835 211.2
[M+Na-2H]- 464.15917 200.8
[M]+ 443.18395 202.5
[M]- 443.18505 202.5
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.