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]+ 217.10838 147.6
[M+Na]+ 239.09032 158.7
[M+NH4]+ 234.13492 154.6
[M+K]+ 255.06426 155.3
[M-H]- 215.09382 150.6
[M+Na-2H]- 237.07577 154.8
[M]+ 216.10055 149.7
[M]- 216.10165 149.7
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.