CID 455939

Isopropenyl 7-chloro-3-oxo-spiro[4h-quinoxaline-2,1'-cyclobutane]-1-carboxylate

Structural Information

Molecular Formula
C15H15ClN2O3
SMILES
CC(=C)OC(=O)N1C2=C(C=CC(=C2)Cl)NC(=O)C13CCC3
InChI
InChI=1S/C15H15ClN2O3/c1-9(2)21-14(20)18-12-8-10(16)4-5-11(12)17-13(19)15(18)6-3-7-15/h4-5,8H,1,3,6-7H2,2H3,(H,17,19)
InChIKey
GTWJGDYUOMTALT-UHFFFAOYSA-N
Compound name
prop-1-en-2-yl 7-chloro-3-oxospiro[4H-quinoxaline-2,1'-cyclobutane]-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.07712 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.08440 164.9
[M+Na]+ 329.06634 172.4
[M-H]- 305.06984 166.9
[M+NH4]+ 324.11094 174.4
[M+K]+ 345.04028 170.1
[M+H-H2O]+ 289.07438 153.4
[M+HCOO]- 351.07532 173.4
[M+CH3COO]- 365.09097 202.8
[M+Na-2H]- 327.05179 167.3
[M]+ 306.07657 172.8
[M]- 306.07767 172.8
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.