CID 1576919

606954-24-9

Structural Information

Molecular Formula
C23H21N3O2S
SMILES
CC(C)(C)C1=CC=C(C=C1)/C=C\2/C(=O)N3C(=NC(=O)C(=N3)CC4=CC=CC=C4)S2
InChI
InChI=1S/C23H21N3O2S/c1-23(2,3)17-11-9-16(10-12-17)14-19-21(28)26-22(29-19)24-20(27)18(25-26)13-15-7-5-4-6-8-15/h4-12,14H,13H2,1-3H3/b19-14-
InChIKey
NGFWLPUXONZUAV-RGEXLXHISA-N
Compound name
(2Z)-6-benzyl-2-[(4-tert-butylphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.13544 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.14272 201.2
[M+Na]+ 426.12466 213.5
[M-H]- 402.12816 209.5
[M+NH4]+ 421.16926 211.9
[M+K]+ 442.09860 205.1
[M+H-H2O]+ 386.13270 191.6
[M+HCOO]- 448.13364 216.2
[M+CH3COO]- 462.14929 211.4
[M+Na-2H]- 424.11011 202.3
[M]+ 403.13489 207.3
[M]- 403.13599 207.3
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.