CID 2578228

5-amino-1-(3-chlorophenyl)-1h-pyrazole-4-carboxamide

Structural Information

Molecular Formula
C10H9ClN4O
SMILES
C1=CC(=CC(=C1)Cl)N2C(=C(C=N2)C(=O)N)N
InChI
InChI=1S/C10H9ClN4O/c11-6-2-1-3-7(4-6)15-9(12)8(5-14-15)10(13)16/h1-5H,12H2,(H2,13,16)
InChIKey
WEZHZDJZVBEJET-UHFFFAOYSA-N
Compound name
5-amino-1-(3-chlorophenyl)pyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2
Patents

236.0465 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.05378 150.2
[M+Na]+ 259.03572 160.2
[M-H]- 235.03922 154.3
[M+NH4]+ 254.08032 167.0
[M+K]+ 275.00966 155.0
[M+H-H2O]+ 219.04376 142.5
[M+HCOO]- 281.04470 169.6
[M+CH3COO]- 295.06035 193.2
[M+Na-2H]- 257.02117 152.8
[M]+ 236.04595 149.6
[M]- 236.04705 149.6
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