CID 3074002

154371-23-0

Structural Information

Molecular Formula
C18H14N4OS
SMILES
CC1=CC(=C(C=C1)NC2=NC(=O)C3=NC4=CC=CC=C4N=C3S2)C
InChI
InChI=1S/C18H14N4OS/c1-10-7-8-12(11(2)9-10)21-18-22-16(23)15-17(24-18)20-14-6-4-3-5-13(14)19-15/h3-9H,1-2H3,(H,21,22,23)
InChIKey
NEKSNUSAOUVEEL-UHFFFAOYSA-N
Compound name
2-(2,4-dimethylanilino)-[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 176.3
[M+Na]+ 357.07806 189.2
[M-H]- 333.08156 181.9
[M+NH4]+ 352.12266 188.7
[M+K]+ 373.05200 181.1
[M+H-H2O]+ 317.08610 166.4
[M+HCOO]- 379.08704 192.4
[M+CH3COO]- 393.10269 187.5
[M+Na-2H]- 355.06351 184.0
[M]+ 334.08829 181.2
[M]- 334.08939 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.