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 194.0
[M+Na]+ 412.10902 206.1
[M-H]- 388.11252 202.3
[M+NH4]+ 407.15362 205.1
[M+K]+ 428.08296 197.7
[M+H-H2O]+ 372.11706 184.2
[M+HCOO]- 434.11800 209.9
[M+CH3COO]- 448.13365 204.5
[M+Na-2H]- 410.09447 193.8
[M]+ 389.11925 199.9
[M]- 389.12035 199.9
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.