CID 3072206

Brn 4880758

Structural Information

Molecular Formula
C19H19ClN2O2
SMILES
CC1=CC=C(C=C1)CC2=NC3=C(N2C(C)CC(=O)O)C=CC(=C3)Cl
InChI
InChI=1S/C19H19ClN2O2/c1-12-3-5-14(6-4-12)10-18-21-16-11-15(20)7-8-17(16)22(18)13(2)9-19(23)24/h3-8,11,13H,9-10H2,1-2H3,(H,23,24)
InChIKey
GGFDXYZTXQPHDY-UHFFFAOYSA-N
Compound name
3-[5-chloro-2-[(4-methylphenyl)methyl]benzimidazol-1-yl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.1135 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.120776 180.0
[M+Na]+ 365.102718 190.1
[M-H]- 341.106224 184.3
[M+NH4]+ 360.147323 194.0
[M+K]+ 381.076658 183.2
[M+H-H2O]+ 325.110760 171.8
[M+HCOO]- 387.111701 194.3
[M+CH3COO]- 401.127351 210.3
[M+Na-2H]- 363.088166 180.5
[M]+ 342.11295142 185.6
[M]- 342.11404858 185.6
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.