CID 7063823

5-amino-n-(2-methoxyphenyl)-3-methyl-1h-pyrazole-4-carboxamide

Structural Information

Molecular Formula
C12H14N4O2
SMILES
CC1=C(C(=NN1)N)C(=O)NC2=CC=CC=C2OC
InChI
InChI=1S/C12H14N4O2/c1-7-10(11(13)16-15-7)12(17)14-8-5-3-4-6-9(8)18-2/h3-6H,1-2H3,(H,14,17)(H3,13,15,16)
InChIKey
WGRLEFRRTDPIJF-UHFFFAOYSA-N
Compound name
3-amino-N-(2-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

246.11168 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.11896 154.7
[M+Na]+ 269.10090 162.6
[M-H]- 245.10440 158.0
[M+NH4]+ 264.14550 169.9
[M+K]+ 285.07484 158.8
[M+H-H2O]+ 229.10894 146.3
[M+HCOO]- 291.10988 177.6
[M+CH3COO]- 305.12553 195.3
[M+Na-2H]- 267.08635 157.6
[M]+ 246.11113 153.3
[M]- 246.11223 153.3
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

No patent data available for this compound.