CID 3073992

154371-13-8

Structural Information

Molecular Formula
C18H14N4OS
SMILES
CCC1=CC=C(C=C1)NC2=NC(=O)C3=NC4=CC=CC=C4N=C3S2
InChI
InChI=1S/C18H14N4OS/c1-2-11-7-9-12(10-8-11)19-18-22-16(23)15-17(24-18)21-14-6-4-3-5-13(14)20-15/h3-10H,2H2,1H3,(H,19,22,23)
InChIKey
NCPYZMUNDOLMHQ-UHFFFAOYSA-N
Compound name
2-(4-ethylanilino)-[1,3]thiazino[5,6-b]quinoxalin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.08884 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.09612 174.3
[M+Na]+ 357.07806 193.0
[M+NH4]+ 352.12266 183.4
[M+K]+ 373.05200 181.2
[M-H]- 333.08156 180.3
[M+Na-2H]- 355.06351 184.9
[M]+ 334.08829 179.5
[M]- 334.08939 179.5
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.