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]+ 197.10330 142.6
[M+Na]+ 219.08524 150.5
[M-H]- 195.08874 144.4
[M+NH4]+ 214.12984 160.8
[M+K]+ 235.05918 149.6
[M+H-H2O]+ 179.09328 135.1
[M+HCOO]- 241.09422 166.5
[M+CH3COO]- 255.10987 188.7
[M+Na-2H]- 217.07069 145.9
[M]+ 196.09547 143.1
[M]- 196.09657 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.