CID 92274050

463364-60-5

Structural Information

Molecular Formula
C19H13N3O2S
SMILES
C1=CC=C(C=C1)CC2=NN3C(=O)/C(=C\C4=CC=CC=C4)/SC3=NC2=O
InChI
InChI=1S/C19H13N3O2S/c23-17-15(11-13-7-3-1-4-8-13)21-22-18(24)16(25-19(22)20-17)12-14-9-5-2-6-10-14/h1-10,12H,11H2/b16-12+
InChIKey
IGZGJDDQGLGXQH-FOWTUZBSSA-N
Compound name
(2E)-6-benzyl-2-benzylidene-[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

2
Patents

347.07285 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.08013 180.9
[M+Na]+ 370.06207 194.1
[M-H]- 346.06557 189.3
[M+NH4]+ 365.10667 193.6
[M+K]+ 386.03601 185.7
[M+H-H2O]+ 330.07011 171.3
[M+HCOO]- 392.07105 199.0
[M+CH3COO]- 406.08670 192.6
[M+Na-2H]- 368.04752 183.8
[M]+ 347.07230 186.0
[M]- 347.07340 186.0
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

patents stripe