CID 1416188

463364-58-1

Structural Information

Molecular Formula
C22H19N3O2S
SMILES
CC(C)C1=CC=C(C=C1)/C=C\2/C(=O)N3C(=NC(=O)C(=N3)CC4=CC=CC=C4)S2
InChI
InChI=1S/C22H19N3O2S/c1-14(2)17-10-8-16(9-11-17)13-19-21(27)25-22(28-19)23-20(26)18(24-25)12-15-6-4-3-5-7-15/h3-11,13-14H,12H2,1-2H3/b19-13-
InChIKey
POZQTWYQUZJTRN-UYRXBGFRSA-N
Compound name
(2Z)-6-benzyl-2-[(4-propan-2-ylphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

389.1198 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.12708 191.6
[M+Na]+ 412.10902 209.2
[M+NH4]+ 407.15362 198.9
[M+K]+ 428.08296 199.9
[M-H]- 388.11252 197.0
[M+Na-2H]- 410.09447 200.9
[M]+ 389.11925 196.3
[M]- 389.12035 196.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.