CID 10160567

Chembl202808

Structural Information

Molecular Formula
C27H26N2O4
SMILES
COC1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NC4=C(N3C5CCCC5)C=CC(=C4)C(=O)O
InChI
InChI=1S/C27H26N2O4/c1-32-22-11-6-18(7-12-22)17-33-23-13-8-19(9-14-23)26-28-24-16-20(27(30)31)10-15-25(24)29(26)21-4-2-3-5-21/h6-16,21H,2-5,17H2,1H3,(H,30,31)
InChIKey
ZQWPOOPPWFNRCA-UHFFFAOYSA-N
Compound name
1-cyclopentyl-2-[4-[(4-methoxyphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

20
Patents

442.18927 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.19655 206.0
[M+Na]+ 465.17849 212.3
[M-H]- 441.18199 216.5
[M+NH4]+ 460.22309 215.4
[M+K]+ 481.15243 206.4
[M+H-H2O]+ 425.18653 195.4
[M+HCOO]- 487.18747 223.8
[M+CH3COO]- 501.20312 214.6
[M+Na-2H]- 463.16394 202.8
[M]+ 442.18872 208.4
[M]- 442.18982 208.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe