CID 9905818

Chembl82945

Structural Information

Molecular Formula
C16H14F3N3O2
SMILES
COC1=CC(=C(C=C1)OC)N2C3=C(C=C(C=C3)C(F)(F)F)N=C2N
InChI
InChI=1S/C16H14F3N3O2/c1-23-10-4-6-14(24-2)13(8-10)22-12-5-3-9(16(17,18)19)7-11(12)21-15(22)20/h3-8H,1-2H3,(H2,20,21)
InChIKey
RUTNWAGOFFGBCZ-UHFFFAOYSA-N
Compound name
1-(2,5-dimethoxyphenyl)-5-(trifluoromethyl)benzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

337.10382 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.11110 175.5
[M+Na]+ 360.09304 187.6
[M-H]- 336.09654 177.9
[M+NH4]+ 355.13764 189.5
[M+K]+ 376.06698 182.0
[M+H-H2O]+ 320.10108 164.6
[M+HCOO]- 382.10202 194.3
[M+CH3COO]- 396.11767 212.7
[M+Na-2H]- 358.07849 178.7
[M]+ 337.10327 176.6
[M]- 337.10437 176.6
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

patents stripe