CID 121605343

1824275-65-1

Structural Information

Molecular Formula
C14H16N2O5
SMILES
CC(C)(C)OC(=O)N1CC(=O)NC2=C1C=C(C=C2)C(=O)O
InChI
InChI=1S/C14H16N2O5/c1-14(2,3)21-13(20)16-7-11(17)15-9-5-4-8(12(18)19)6-10(9)16/h4-6H,7H2,1-3H3,(H,15,17)(H,18,19)
InChIKey
JUTXFWVLDGCGDS-UHFFFAOYSA-N
Compound name
4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-1,3-dihydroquinoxaline-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.10593 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.11321 165.6
[M+Na]+ 315.09515 172.5
[M-H]- 291.09865 164.7
[M+NH4]+ 310.13975 178.1
[M+K]+ 331.06909 169.9
[M+H-H2O]+ 275.10319 158.9
[M+HCOO]- 337.10413 177.7
[M+CH3COO]- 351.11978 197.0
[M+Na-2H]- 313.08060 168.5
[M]+ 292.10538 164.9
[M]- 292.10648 164.9
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.