CID 375026

Nsc653852

Structural Information

Molecular Formula
C18H12N4O2
SMILES
CCOC(=O)C1=CC2=C(C3=NC4=CC=CC=C4N=C3N2C=C1)C#N
InChI
InChI=1S/C18H12N4O2/c1-2-24-18(23)11-7-8-22-15(9-11)12(10-19)16-17(22)21-14-6-4-3-5-13(14)20-16/h3-9H,2H2,1H3
InChIKey
GRTRAKWBMNSBMA-UHFFFAOYSA-N
Compound name
ethyl 12-cyanoindolizino[2,3-b]quinoxaline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

316.09604 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.10332 176.7
[M+Na]+ 339.08526 190.8
[M-H]- 315.08876 177.9
[M+NH4]+ 334.12986 189.9
[M+K]+ 355.05920 181.4
[M+H-H2O]+ 299.09330 160.4
[M+HCOO]- 361.09424 192.4
[M+CH3COO]- 375.10989 186.2
[M+Na-2H]- 337.07071 182.3
[M]+ 316.09549 177.1
[M]- 316.09659 177.1
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.