CID 513905

Chembl176038

Structural Information

Molecular Formula
C22H20N2O3
SMILES
C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC5=CC=CC=C5O4
InChI
InChI=1S/C22H20N2O3/c25-22(26)15-10-11-18-17(12-15)23-21(24(18)16-7-2-1-3-8-16)20-13-14-6-4-5-9-19(14)27-20/h4-6,9-13,16H,1-3,7-8H2,(H,25,26)
InChIKey
CRCUYFNJFFPTDM-UHFFFAOYSA-N
Compound name
2-(1-benzofuran-2-yl)-1-cyclohexylbenzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

360.1474 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.15468 182.9
[M+Na]+ 383.13662 191.5
[M-H]- 359.14012 192.2
[M+NH4]+ 378.18122 196.0
[M+K]+ 399.11056 186.4
[M+H-H2O]+ 343.14466 174.2
[M+HCOO]- 405.14560 200.1
[M+CH3COO]- 419.16125 193.5
[M+Na-2H]- 381.12207 183.7
[M]+ 360.14685 184.2
[M]- 360.14795 184.2
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

No patent data available for this compound.