CID 5776802

606960-78-5

Structural Information

Molecular Formula
C19H15N3O3S
SMILES
COC1=CC(=C(C=C1)/C=C/2\C(=O)N3C(=NC(=N3)C4=CC=CC=C4)S2)OC
InChI
InChI=1S/C19H15N3O3S/c1-24-14-9-8-13(15(11-14)25-2)10-16-18(23)22-19(26-16)20-17(21-22)12-6-4-3-5-7-12/h3-11H,1-2H3/b16-10+
InChIKey
OTAIKOXYQRPDJV-MHWRWJLKSA-N
Compound name
(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.0834 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.09068 185.4
[M+Na]+ 388.07262 198.8
[M-H]- 364.07612 194.8
[M+NH4]+ 383.11722 199.7
[M+K]+ 404.04656 192.6
[M+H-H2O]+ 348.08066 177.2
[M+HCOO]- 410.08160 204.6
[M+CH3COO]- 424.09725 197.7
[M+Na-2H]- 386.05807 184.8
[M]+ 365.08285 194.3
[M]- 365.08395 194.3
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.