CID 1547149

606949-63-7

Structural Information

Molecular Formula
C18H14N4O3S
SMILES
COC1=C(C=C(C=C1)/C=C/2\C(=O)N3C(=NC(=N3)C4=CC=NC=C4)S2)OC
InChI
InChI=1S/C18H14N4O3S/c1-24-13-4-3-11(9-14(13)25-2)10-15-17(23)22-18(26-15)20-16(21-22)12-5-7-19-8-6-12/h3-10H,1-2H3/b15-10+
InChIKey
UBISCKOBWFDSFS-XNTDXEJSSA-N
Compound name
(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-2-pyridin-4-yl-[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

366.07867 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.08595 184.4
[M+Na]+ 389.06789 200.5
[M+NH4]+ 384.11249 191.0
[M+K]+ 405.04183 194.6
[M-H]- 365.07139 188.2
[M+Na-2H]- 387.05334 192.3
[M]+ 366.07812 188.3
[M]- 366.07922 188.3
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.