CID 3073995

154371-16-1

Structural Information

Molecular Formula
C19H16N4OS
SMILES
CC(C)C1=CC=C(C=C1)NC2=NC(=O)C3=NC4=CC=CC=C4N=C3S2
InChI
InChI=1S/C19H16N4OS/c1-11(2)12-7-9-13(10-8-12)20-19-23-17(24)16-18(25-19)22-15-6-4-3-5-14(15)21-16/h3-11H,1-2H3,(H,20,23,24)
InChIKey
KUGPGJDQWYSYRL-UHFFFAOYSA-N
Compound name
2-(4-propan-2-ylanilino)-[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

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.11178 179.3
[M+Na]+ 371.09372 190.4
[M-H]- 347.09722 184.4
[M+NH4]+ 366.13832 190.8
[M+K]+ 387.06766 182.7
[M+H-H2O]+ 331.10176 169.2
[M+HCOO]- 393.10270 194.1
[M+CH3COO]- 407.11835 189.6
[M+Na-2H]- 369.07917 186.4
[M]+ 348.10395 183.6
[M]- 348.10505 183.6
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.