CID 404449

Nsc720655

Structural Information

Molecular Formula
C15H10N2O4
SMILES
CCOC(=O)C1=CC(=C2N(C1=O)C3=CC=CC=C3O2)C#N
InChI
InChI=1S/C15H10N2O4/c1-2-20-15(19)10-7-9(8-16)14-17(13(10)18)11-5-3-4-6-12(11)21-14/h3-7H,2H2,1H3
InChIKey
SHKDUEGFTHISJX-UHFFFAOYSA-N
Compound name
ethyl 4-cyano-1-oxopyrido[2,1-b][1,3]benzoxazole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.06406 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.07134 163.5
[M+Na]+ 305.05328 177.6
[M-H]- 281.05678 167.8
[M+NH4]+ 300.09788 179.0
[M+K]+ 321.02722 172.2
[M+H-H2O]+ 265.06132 149.8
[M+HCOO]- 327.06226 181.9
[M+CH3COO]- 341.07791 210.0
[M+Na-2H]- 303.03873 168.6
[M]+ 282.06351 165.1
[M]- 282.06461 165.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.