CID 1802

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

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: 103
Patents: 202.08546 Da
Monoisotopic Mass: 1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	203.09274	143.0
[M+Na]+	225.07468	153.9
[M+NH4]+	220.11928	149.9
[M+K]+	241.04862	151.0
[M-H]-	201.07818	145.8
[M+Na-2H]-	223.06013	150.0
[M]+	202.08491	144.9
[M]-	202.08601	144.9

Literature stripe

literature stripe

Patent stripe

patents stripe