CID 3073991

154371-12-7

Structural Information

Molecular Formula
C17H12N4OS
SMILES
CC1=CC=C(C=C1)NC2=NC(=O)C3=NC4=CC=CC=C4N=C3S2
InChI
InChI=1S/C17H12N4OS/c1-10-6-8-11(9-7-10)18-17-21-15(22)14-16(23-17)20-13-5-3-2-4-12(13)19-14/h2-9H,1H3,(H,18,21,22)
InChIKey
MXQSRKCCVZWNII-UHFFFAOYSA-N
Compound name
2-(4-methylanilino)-[1,3]thiazino[5,6-b]quinoxalin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.07318 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.08046 170.7
[M+Na]+ 343.06240 183.2
[M-H]- 319.06590 176.2
[M+NH4]+ 338.10700 183.5
[M+K]+ 359.03634 175.3
[M+H-H2O]+ 303.07044 160.9
[M+HCOO]- 365.07138 187.3
[M+CH3COO]- 379.08703 182.1
[M+Na-2H]- 341.04785 179.8
[M]+ 320.07263 174.9
[M]- 320.07373 174.9
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.