CID 17517623

5-amino-1-[3-(trifluoromethyl)phenyl]-1h-pyrazole-4-carboxamide

Structural Information

Molecular Formula
C11H9F3N4O
SMILES
C1=CC(=CC(=C1)N2C(=C(C=N2)C(=O)N)N)C(F)(F)F
InChI
InChI=1S/C11H9F3N4O/c12-11(13,14)6-2-1-3-7(4-6)18-9(15)8(5-17-18)10(16)19/h1-5H,15H2,(H2,16,19)
InChIKey
VORHMOHTJGBVAW-UHFFFAOYSA-N
Compound name
5-amino-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.07285 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.08013 155.0
[M+Na]+ 293.06207 164.4
[M-H]- 269.06557 155.5
[M+NH4]+ 288.10667 169.6
[M+K]+ 309.03601 159.9
[M+H-H2O]+ 253.07011 144.6
[M+HCOO]- 315.07105 174.0
[M+CH3COO]- 329.08670 200.4
[M+Na-2H]- 291.04752 156.9
[M]+ 270.07230 148.9
[M]- 270.07340 148.9
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.