CID 6270693

6-benzyl-2-benzylidene-7h-(1,3)thiazolo(3,2-b)(1,2,4)triazine-3,7(2h)-dione

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-VBKFSLOCSA-N
Compound name
(2Z)-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

2
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 178.7
[M+Na]+ 370.06207 197.0
[M+NH4]+ 365.10667 186.6
[M+K]+ 386.03601 187.3
[M-H]- 346.06557 184.2
[M+Na-2H]- 368.04752 189.2
[M]+ 347.07230 183.5
[M]- 347.07340 183.5
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.