CID 455938

Isopropenyl 2,2-diethyl-6-methyl-3-oxo-4h-quinoxaline-1-carboxylate

Structural Information

Molecular Formula
C17H22N2O3
SMILES
CCC1(C(=O)NC2=C(N1C(=O)OC(=C)C)C=CC(=C2)C)CC
InChI
InChI=1S/C17H22N2O3/c1-6-17(7-2)15(20)18-13-10-12(5)8-9-14(13)19(17)16(21)22-11(3)4/h8-10H,3,6-7H2,1-2,4-5H3,(H,18,20)
InChIKey
WDGZRSFTSQDRFP-UHFFFAOYSA-N
Compound name
prop-1-en-2-yl 2,2-diethyl-6-methyl-3-oxo-4H-quinoxaline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.16306 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.17034 171.3
[M+Na]+ 325.15228 179.1
[M-H]- 301.15578 171.6
[M+NH4]+ 320.19688 186.5
[M+K]+ 341.12622 175.1
[M+H-H2O]+ 285.16032 164.4
[M+HCOO]- 347.16126 185.1
[M+CH3COO]- 361.17691 204.9
[M+Na-2H]- 323.13773 172.4
[M]+ 302.16251 171.9
[M]- 302.16361 171.9
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.