CID 8831909

3-amino-1-phenyl-1h-pyrazole-4-carboxamide

Structural Information

Molecular Formula
C10H10N4O
SMILES
C1=CC=C(C=C1)N2C=C(C(=N2)N)C(=O)N
InChI
InChI=1S/C10H10N4O/c11-9-8(10(12)15)6-14(13-9)7-4-2-1-3-5-7/h1-6H,(H2,11,13)(H2,12,15)
InChIKey
BKSKDJDJPBQJJD-UHFFFAOYSA-N
Compound name
3-amino-1-phenylpyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

202.08546 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.09274 142.2
[M+Na]+ 225.07468 150.6
[M-H]- 201.07818 146.3
[M+NH4]+ 220.11928 159.3
[M+K]+ 241.04862 147.2
[M+H-H2O]+ 185.08272 133.9
[M+HCOO]- 247.08366 166.4
[M+CH3COO]- 261.09931 188.3
[M+Na-2H]- 223.06013 146.3
[M]+ 202.08491 139.3
[M]- 202.08601 139.3
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