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

33
Patents

220.07603 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.083306 144.9
[M+Na]+ 243.065248 154.3
[M-H]- 219.068754 148.0
[M+NH4]+ 238.109853 161.5
[M+K]+ 259.039188 150.4
[M+H-H2O]+ 203.073290 135.9
[M+HCOO]- 265.074231 168.1
[M+CH3COO]- 279.089881 192.2
[M+Na-2H]- 241.050696 147.6
[M]+ 220.07548142 141.3
[M]- 220.07657858 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