CID 223714

100061-56-1

Structural Information

Molecular Formula

C₁₁H₁₂N₄O

SMILES

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)N)N

InChI

InChI=1S/C11H12N4O/c1-7-2-4-8(5-3-7)15-10(12)9(6-14-15)11(13)16/h2-6H,12H2,1H3,(H2,13,16)

InChIKey

MXBYCCRXPQPHBP-UHFFFAOYSA-N

Compound name

5-amino-1-(4-methylphenyl)pyrazole-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 216.1011 Da
Monoisotopic Mass: 1.3
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]+	217.10838	147.3
[M+Na]+	239.09032	156.2
[M-H]-	215.09382	151.6
[M+NH4]+	234.13492	164.1
[M+K]+	255.06426	152.5
[M+H-H2O]+	199.09836	139.1
[M+HCOO]-	261.09930	171.1
[M+CH3COO]-	275.11495	192.5
[M+Na-2H]-	237.07577	150.0
[M]+	216.10055	145.1
[M]-	216.10165	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe