CID 202601

Pyrazole-3,4-dicarboxamide, 1-allyl-n,n'-dimethyl-

Structural Information

Molecular Formula
C10H14N4O2
SMILES
CNC(=O)C1=CN(N=C1C(=O)NC)CC=C
InChI
InChI=1S/C10H14N4O2/c1-4-5-14-6-7(9(15)11-2)8(13-14)10(16)12-3/h4,6H,1,5H2,2-3H3,(H,11,15)(H,12,16)
InChIKey
KIIMBJWHQVXIBB-UHFFFAOYSA-N
Compound name
3-N,4-N-dimethyl-1-prop-2-enylpyrazole-3,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.11168 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.11896 150.5
[M+Na]+ 245.10090 157.8
[M-H]- 221.10440 152.0
[M+NH4]+ 240.14550 167.6
[M+K]+ 261.07484 155.8
[M+H-H2O]+ 205.10894 142.7
[M+HCOO]- 267.10988 174.0
[M+CH3COO]- 281.12553 193.8
[M+Na-2H]- 243.08635 152.8
[M]+ 222.11113 151.1
[M]- 222.11223 151.1
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.