CID 513901

1-[(1s)-2-methylenecyclohexyl]-2-(2-pyridyl)benzimidazole-5-carboxylic acid

Structural Information

Molecular Formula
C20H19N3O2
SMILES
C=C1CCCC[C@@H]1N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC=CC=N4
InChI
InChI=1S/C20H19N3O2/c1-13-6-2-3-8-17(13)23-18-10-9-14(20(24)25)12-16(18)22-19(23)15-7-4-5-11-21-15/h4-5,7,9-12,17H,1-3,6,8H2,(H,24,25)/t17-/m0/s1
InChIKey
RFKVTSRAYSVYCD-KRWDZBQOSA-N
Compound name
1-[(1S)-2-methylidenecyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

333.14774 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.15502 179.9
[M+Na]+ 356.13696 187.5
[M-H]- 332.14046 185.3
[M+NH4]+ 351.18156 191.0
[M+K]+ 372.11090 180.4
[M+H-H2O]+ 316.14500 169.2
[M+HCOO]- 378.14594 195.2
[M+CH3COO]- 392.16159 189.1
[M+Na-2H]- 354.12241 180.5
[M]+ 333.14719 177.0
[M]- 333.14829 177.0
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.