CID 1301055

606955-75-3

Structural Information

Molecular Formula
C19H12BrN3O3S
SMILES
COC1=C(C=C(C=C1)Br)/C=C\2/C(=O)N3C(=NC(=O)C(=N3)C4=CC=CC=C4)S2
InChI
InChI=1S/C19H12BrN3O3S/c1-26-14-8-7-13(20)9-12(14)10-15-18(25)23-19(27-15)21-17(24)16(22-23)11-5-3-2-4-6-11/h2-10H,1H3/b15-10-
InChIKey
VLNXDGPUMAMQAW-GDNBJRDFSA-N
Compound name
(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-6-phenyl-[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

440.97827 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.98555 183.5
[M+Na]+ 463.96749 191.6
[M+NH4]+ 459.01209 187.2
[M+K]+ 479.94143 189.5
[M-H]- 439.97099 186.7
[M+Na-2H]- 461.95294 189.5
[M]+ 440.97772 185.0
[M]- 440.97882 185.0
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.