CID 383156

Nsc671267

Structural Information

Molecular Formula
C17H14N2O4S
SMILES
CCOC(=O)CC(=O)NC1=C2C(=CC=C1)SC3=C(C2=O)C=CC=N3
InChI
InChI=1S/C17H14N2O4S/c1-2-23-14(21)9-13(20)19-11-6-3-7-12-15(11)16(22)10-5-4-8-18-17(10)24-12/h3-8H,2,9H2,1H3,(H,19,20)
InChIKey
LIXGSGUWVYZYCK-UHFFFAOYSA-N
Compound name
ethyl 3-oxo-3-[(5-oxothiochromeno[2,3-b]pyridin-6-yl)amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.0674 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.07468 174.1
[M+Na]+ 365.05662 183.2
[M-H]- 341.06012 178.5
[M+NH4]+ 360.10122 188.4
[M+K]+ 381.03056 178.7
[M+H-H2O]+ 325.06466 166.1
[M+HCOO]- 387.06560 190.8
[M+CH3COO]- 401.08125 211.5
[M+Na-2H]- 363.04207 179.8
[M]+ 342.06685 181.2
[M]- 342.06795 181.2
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.