CID 491111

Schembl27574717

Structural Information

Molecular Formula
C23H26N2O3
SMILES
CC(C)OC1=CC=C(C=C1)C2=NC3=C(N2C4CCCCC4)C=CC(=C3)C(=O)O
InChI
InChI=1S/C23H26N2O3/c1-15(2)28-19-11-8-16(9-12-19)22-24-20-14-17(23(26)27)10-13-21(20)25(22)18-6-4-3-5-7-18/h8-15,18H,3-7H2,1-2H3,(H,26,27)
InChIKey
ACYUPTHOFSOQPM-UHFFFAOYSA-N
Compound name
1-cyclohexyl-2-(4-propan-2-yloxyphenyl)benzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

378.19434 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.20162 191.8
[M+Na]+ 401.18356 197.2
[M-H]- 377.18706 198.2
[M+NH4]+ 396.22816 202.4
[M+K]+ 417.15750 191.8
[M+H-H2O]+ 361.19160 181.6
[M+HCOO]- 423.19254 206.5
[M+CH3COO]- 437.20819 200.3
[M+Na-2H]- 399.16901 190.1
[M]+ 378.19379 191.0
[M]- 378.19489 191.0
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

patents stripe