CID 2727413

5-amino-1-(4-fluorophenyl)-1h-pyrazole-4-carboxamide

Structural Information

Molecular Formula
C10H9FN4O
SMILES
C1=CC(=CC=C1N2C(=C(C=N2)C(=O)N)N)F
InChI
InChI=1S/C10H9FN4O/c11-6-1-3-7(4-2-6)15-9(12)8(5-14-15)10(13)16/h1-5H,12H2,(H2,13,16)
InChIKey
AXZGQTXCRLLNIN-UHFFFAOYSA-N
Compound name
5-amino-1-(4-fluorophenyl)pyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

220.07603 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.08331 144.9
[M+Na]+ 243.06525 154.3
[M-H]- 219.06875 148.0
[M+NH4]+ 238.10985 161.5
[M+K]+ 259.03919 150.4
[M+H-H2O]+ 203.07329 135.9
[M+HCOO]- 265.07423 168.1
[M+CH3COO]- 279.08988 192.2
[M+Na-2H]- 241.05070 147.6
[M]+ 220.07548 141.3
[M]- 220.07658 141.3
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

patents stripe