CID 1802

5-amino-1-phenyl-4-pyrazolecarboxamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

115
Patents

202.08546 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.092736 142.2
[M+Na]+ 225.074678 150.6
[M-H]- 201.078184 146.3
[M+NH4]+ 220.119283 159.3
[M+K]+ 241.048618 147.2
[M+H-H2O]+ 185.082720 133.9
[M+HCOO]- 247.083661 166.4
[M+CH3COO]- 261.099311 188.3
[M+Na-2H]- 223.060126 146.3
[M]+ 202.08491142 139.3
[M]- 202.08600858 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