CID 162343814

2708288-03-1

Structural Information

Molecular Formula
C15H20N2O4
SMILES
CC(C)(C)OC(=O)N1CCNC2=C1C=C(C=C2)C(=O)OC
InChI
InChI=1S/C15H20N2O4/c1-15(2,3)21-14(19)17-8-7-16-11-6-5-10(9-12(11)17)13(18)20-4/h5-6,9,16H,7-8H2,1-4H3
InChIKey
QFMVTNCYSRZLCU-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 7-O-methyl 3,4-dihydro-2H-quinoxaline-1,7-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.1423 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.14958 168.8
[M+Na]+ 315.13152 174.8
[M-H]- 291.13502 168.8
[M+NH4]+ 310.17612 182.1
[M+K]+ 331.10546 172.7
[M+H-H2O]+ 275.13956 161.5
[M+HCOO]- 337.14050 181.8
[M+CH3COO]- 351.15615 198.8
[M+Na-2H]- 313.11697 172.1
[M]+ 292.14175 169.1
[M]- 292.14285 169.1
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.