CID 455937

Schembl5451525

Structural Information

Molecular Formula
C14H15ClN2O3
SMILES
CC(=C)OC(=O)N1C2=C(C=CC(=C2)Cl)NC(=O)C1(C)C
InChI
InChI=1S/C14H15ClN2O3/c1-8(2)20-13(19)17-11-7-9(15)5-6-10(11)16-12(18)14(17,3)4/h5-7H,1H2,2-4H3,(H,16,18)
InChIKey
XGYJDWCIYHZKSU-UHFFFAOYSA-N
Compound name
prop-1-en-2-yl 7-chloro-2,2-dimethyl-3-oxo-4H-quinoxaline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

294.07712 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.08440 162.0
[M+Na]+ 317.06634 172.0
[M-H]- 293.06984 162.9
[M+NH4]+ 312.11094 178.6
[M+K]+ 333.04028 167.0
[M+H-H2O]+ 277.07438 156.5
[M+HCOO]- 339.07532 172.5
[M+CH3COO]- 353.09097 199.6
[M+Na-2H]- 315.05179 164.5
[M]+ 294.07657 163.7
[M]- 294.07767 163.7
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

patents stripe