CID 210532

Pyrazole-3,4-dicarboxamide, n,n',1-trimethyl-

Structural Information

Molecular Formula
C8H12N4O2
SMILES
CNC(=O)C1=CN(N=C1C(=O)NC)C
InChI
InChI=1S/C8H12N4O2/c1-9-7(13)5-4-12(3)11-6(5)8(14)10-2/h4H,1-3H3,(H,9,13)(H,10,14)
InChIKey
FZYNPLSCEWOVQV-UHFFFAOYSA-N
Compound name
3-N,4-N,1-trimethylpyrazole-3,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.09602 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.103296 142.6
[M+Na]+ 219.085238 150.5
[M-H]- 195.088744 144.4
[M+NH4]+ 214.129843 160.8
[M+K]+ 235.059178 149.6
[M+H-H2O]+ 179.093280 135.1
[M+HCOO]- 241.094221 166.5
[M+CH3COO]- 255.109871 188.7
[M+Na-2H]- 217.070686 145.9
[M]+ 196.09547142 143.1
[M]- 196.09656858 143.1
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.