CID 3072204

Brn 4886867

Structural Information

Molecular Formula
C20H19F3N2O2
SMILES
CC1=CC=C(C=C1)CC2=NC3=C(N2C(C)CC(=O)O)C=CC(=C3)C(F)(F)F
InChI
InChI=1S/C20H19F3N2O2/c1-12-3-5-14(6-4-12)10-18-24-16-11-15(20(21,22)23)7-8-17(16)25(18)13(2)9-19(26)27/h3-8,11,13H,9-10H2,1-2H3,(H,26,27)
InChIKey
YDVJDHIXRFDZBY-UHFFFAOYSA-N
Compound name
3-[2-[(4-methylphenyl)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.13986 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.14714 187.8
[M+Na]+ 399.12908 197.3
[M-H]- 375.13258 188.5
[M+NH4]+ 394.17368 199.6
[M+K]+ 415.10302 190.9
[M+H-H2O]+ 359.13712 177.0
[M+HCOO]- 421.13806 201.6
[M+CH3COO]- 435.15371 217.4
[M+Na-2H]- 397.11453 187.5
[M]+ 376.13931 187.8
[M]- 376.14041 187.8
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.