CID 85679562

N3,n5-dimethyl-1h-pyrazole-3,5-dicarboxamide

Structural Information

Molecular Formula
C7H10N4O2
SMILES
CNC(=O)C1=CC(=NN1)C(=O)NC
InChI
InChI=1S/C7H10N4O2/c1-8-6(12)4-3-5(11-10-4)7(13)9-2/h3H,1-2H3,(H,8,12)(H,9,13)(H,10,11)
InChIKey
ZYRMCQLXPMIJQI-UHFFFAOYSA-N
Compound name
3-N,5-N-dimethyl-1H-pyrazole-3,5-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

182.08037 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.08765 138.7
[M+Na]+ 205.06959 145.6
[M-H]- 181.07309 138.8
[M+NH4]+ 200.11419 156.3
[M+K]+ 221.04353 144.1
[M+H-H2O]+ 165.07763 131.2
[M+HCOO]- 227.07857 161.4
[M+CH3COO]- 241.09422 182.0
[M+Na-2H]- 203.05504 142.7
[M]+ 182.07982 136.5
[M]- 182.08092 136.5
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

patents stripe