CID 3070851

1h-pyrazole-3-carboxamide, 4-amino-5-methyl-n-(3-(trifluoromethyl)phenyl)-

Structural Information

Molecular Formula
C12H11F3N4O
SMILES
CC1=C(C(=NN1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)N
InChI
InChI=1S/C12H11F3N4O/c1-6-9(16)10(19-18-6)11(20)17-8-4-2-3-7(5-8)12(13,14)15/h2-5H,16H2,1H3,(H,17,20)(H,18,19)
InChIKey
COCHDYGACKQXJW-UHFFFAOYSA-N
Compound name
4-amino-5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.0885 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.09578 159.7
[M+Na]+ 307.07772 168.3
[M-H]- 283.08122 159.2
[M+NH4]+ 302.12232 173.3
[M+K]+ 323.05166 163.1
[M+H-H2O]+ 267.08576 149.3
[M+HCOO]- 329.08670 177.5
[M+CH3COO]- 343.10235 201.0
[M+Na-2H]- 305.06317 161.7
[M]+ 284.08795 152.9
[M]- 284.08905 152.9
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.