CID 3074003

154371-24-1

Structural Information

Molecular Formula
C19H16N4OS
SMILES
CC1=CC(=C(C(=C1)C)NC2=NC(=O)C3=NC4=CC=CC=C4N=C3S2)C
InChI
InChI=1S/C19H16N4OS/c1-10-8-11(2)15(12(3)9-10)22-19-23-17(24)16-18(25-19)21-14-7-5-4-6-13(14)20-16/h4-9H,1-3H3,(H,22,23,24)
InChIKey
ZMTXDOHPHRMTIU-UHFFFAOYSA-N
Compound name
2-(2,4,6-trimethylanilino)-[1,3]thiazino[5,6-b]quinoxalin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.1045 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.11178 181.8
[M+Na]+ 371.09372 195.0
[M-H]- 347.09722 187.6
[M+NH4]+ 366.13832 193.9
[M+K]+ 387.06766 186.7
[M+H-H2O]+ 331.10176 171.8
[M+HCOO]- 393.10270 197.5
[M+CH3COO]- 407.11835 192.8
[M+Na-2H]- 369.07917 188.2
[M]+ 348.10395 187.4
[M]- 348.10505 187.4
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.