CID 3061964

Brn 4456005

Structural Information

Molecular Formula
C12H14N4O
SMILES
CC1=C(C(=NN1)C(=O)NCC2=CC=CC=C2)N
InChI
InChI=1S/C12H14N4O/c1-8-10(13)11(16-15-8)12(17)14-7-9-5-3-2-4-6-9/h2-6H,7,13H2,1H3,(H,14,17)(H,15,16)
InChIKey
PATVSZXLYJURIO-UHFFFAOYSA-N
Compound name
4-amino-N-benzyl-5-methyl-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.11676 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.12404 152.4
[M+Na]+ 253.10598 162.7
[M+NH4]+ 248.15058 158.8
[M+K]+ 269.07992 159.4
[M-H]- 229.10948 154.8
[M+Na-2H]- 251.09143 158.7
[M]+ 230.11621 154.1
[M]- 230.11731 154.1
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.