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]+ 223.118956 150.5
[M+Na]+ 245.100898 157.8
[M-H]- 221.104404 152.0
[M+NH4]+ 240.145503 167.6
[M+K]+ 261.074838 155.8
[M+H-H2O]+ 205.108940 142.7
[M+HCOO]- 267.109881 174.0
[M+CH3COO]- 281.125531 193.8
[M+Na-2H]- 243.086346 152.8
[M]+ 222.11113142 151.1
[M]- 222.11222858 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.