CID 3073993

154371-14-9

Structural Information

Molecular Formula
C17H12N4O2S
SMILES
COC1=CC=CC=C1NC2=NC(=O)C3=NC4=CC=CC=C4N=C3S2
InChI
InChI=1S/C17H12N4O2S/c1-23-13-9-5-4-8-12(13)20-17-21-15(22)14-16(24-17)19-11-7-3-2-6-10(11)18-14/h2-9H,1H3,(H,20,21,22)
InChIKey
NZOVQSQYMQRSRI-UHFFFAOYSA-N
Compound name
2-(2-methoxyanilino)-[1,3]thiazino[5,6-b]quinoxalin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.06808 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.07536 173.4
[M+Na]+ 359.05730 191.8
[M+NH4]+ 354.10190 182.0
[M+K]+ 375.03124 180.7
[M-H]- 335.06080 179.0
[M+Na-2H]- 357.04275 183.8
[M]+ 336.06753 178.4
[M]- 336.06863 178.4
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.