CID 3000484

Allyl (2s)-7-chloro-2-methyl-3-oxo-2,4-dihydroquinoxaline-1-carboxylate

Structural Information

Molecular Formula
C13H13ClN2O3
SMILES
C[C@H]1C(=O)NC2=C(N1C(=O)OCC=C)C=C(C=C2)Cl
InChI
InChI=1S/C13H13ClN2O3/c1-3-6-19-13(18)16-8(2)12(17)15-10-5-4-9(14)7-11(10)16/h3-5,7-8H,1,6H2,2H3,(H,15,17)/t8-/m0/s1
InChIKey
DHXIHBGKOUDHJL-QMMMGPOBSA-N
Compound name
prop-2-enyl (2S)-7-chloro-2-methyl-3-oxo-2,4-dihydroquinoxaline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.06146 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.06874 160.2
[M+Na]+ 303.05068 169.8
[M-H]- 279.05418 160.7
[M+NH4]+ 298.09528 175.3
[M+K]+ 319.02462 164.2
[M+H-H2O]+ 263.05872 153.7
[M+HCOO]- 325.05966 171.9
[M+CH3COO]- 339.07531 196.1
[M+Na-2H]- 301.03613 162.8
[M]+ 280.06091 161.7
[M]- 280.06201 161.7
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.