CID 6485373

957514-02-2

Structural Information

Molecular Formula
C11H12N4O
SMILES
CN1C=CC(=N1)C(=O)NC2=CC=C(C=C2)N
InChI
InChI=1S/C11H12N4O/c1-15-7-6-10(14-15)11(16)13-9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,16)
InChIKey
KWYAUSLUAUUAOB-UHFFFAOYSA-N
Compound name
N-(4-aminophenyl)-1-methylpyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.1011 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.108376 146.8
[M+Na]+ 239.090318 154.8
[M-H]- 215.093824 151.2
[M+NH4]+ 234.134923 163.6
[M+K]+ 255.064258 151.4
[M+H-H2O]+ 199.098360 138.2
[M+HCOO]- 261.099301 171.3
[M+CH3COO]- 275.114951 191.2
[M+Na-2H]- 237.075766 151.3
[M]+ 216.10055142 145.0
[M]- 216.10164858 145.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.