CID 95522

6635-26-3

Structural Information

Molecular Formula
C17H18N2O4
SMILES
CCOC(=O)C1CC(C2=NC3=CC=CC=C3N=C12)C(=O)OCC
InChI
InChI=1S/C17H18N2O4/c1-3-22-16(20)10-9-11(17(21)23-4-2)15-14(10)18-12-7-5-6-8-13(12)19-15/h5-8,10-11H,3-4,9H2,1-2H3
InChIKey
PENXEOMZUBNSPZ-UHFFFAOYSA-N
Compound name
diethyl 2,3-dihydro-1H-cyclopenta[b]quinoxaline-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

314.12665 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.13393 172.6
[M+Na]+ 337.11587 184.1
[M+NH4]+ 332.16047 179.0
[M+K]+ 353.08981 180.3
[M-H]- 313.11937 172.6
[M+Na-2H]- 335.10132 175.1
[M]+ 314.12610 174.0
[M]- 314.12720 174.0
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