CID 46846313

Chembl1234899

Structural Information

Molecular Formula
C17H14F3N3O2S
SMILES
CC1=NC2=C(N1C3=CC=C(S3)C(=O)NC4CC4)C=CC(=C2)OC(F)(F)F
InChI
InChI=1S/C17H14F3N3O2S/c1-9-21-12-8-11(25-17(18,19)20)4-5-13(12)23(9)15-7-6-14(26-15)16(24)22-10-2-3-10/h4-8,10H,2-3H2,1H3,(H,22,24)
InChIKey
ACFOZQUWTKSSQQ-UHFFFAOYSA-N
Compound name
N-cyclopropyl-5-[2-methyl-5-(trifluoromethoxy)benzimidazol-1-yl]thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

11
Patents

381.0759 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.083176 175.6
[M+Na]+ 404.065118 187.8
[M-H]- 380.068624 181.8
[M+NH4]+ 399.109723 185.6
[M+K]+ 420.039058 180.8
[M+H-H2O]+ 364.073160 166.9
[M+HCOO]- 426.074101 190.8
[M+CH3COO]- 440.089751 186.2
[M+Na-2H]- 402.050566 175.3
[M]+ 381.07535142 181.0
[M]- 381.07644858 181.0
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

No patent data available for this compound.