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 173.0
[M+Na]+ 337.11587 180.8
[M-H]- 313.11937 175.6
[M+NH4]+ 332.16047 188.7
[M+K]+ 353.08981 177.8
[M+H-H2O]+ 297.12391 164.9
[M+HCOO]- 359.12485 190.2
[M+CH3COO]- 373.14050 206.6
[M+Na-2H]- 335.10132 175.1
[M]+ 314.12610 177.6
[M]- 314.12720 177.6
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