CID 24864077

4-(acetylamino)-n-(4-fluorophenyl)-1h-pyrazole-3-carboxamide

Structural Information

Molecular Formula
C12H11FN4O2
SMILES
CC(=O)NC1=C(NN=C1)C(=O)NC2=CC=C(C=C2)F
InChI
InChI=1S/C12H11FN4O2/c1-7(18)15-10-6-14-17-11(10)12(19)16-9-4-2-8(13)3-5-9/h2-6H,1H3,(H,14,17)(H,15,18)(H,16,19)
InChIKey
CWQKPKYIMQTGJK-UHFFFAOYSA-N
Compound name
4-acetamido-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

64
Patents

262.0866 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.09388 156.0
[M+Na]+ 285.07582 163.0
[M-H]- 261.07932 158.2
[M+NH4]+ 280.12042 170.2
[M+K]+ 301.04976 159.1
[M+H-H2O]+ 245.08386 146.5
[M+HCOO]- 307.08480 177.6
[M+CH3COO]- 321.10045 196.7
[M+Na-2H]- 283.06127 158.9
[M]+ 262.08605 152.7
[M]- 262.08715 152.7
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.