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

71
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

literature stripe

Patent stripe

patents stripe