CID 2060686

606952-94-7

Structural Information

Molecular Formula
C20H15Cl2N3O4S
SMILES
COC1=CC(=CC(=C1OC)OC)/C=C/2\C(=O)N3C(=NC(=N3)C4=C(C=C(C=C4)Cl)Cl)S2
InChI
InChI=1S/C20H15Cl2N3O4S/c1-27-14-6-10(7-15(28-2)17(14)29-3)8-16-19(26)25-20(30-16)23-18(24-25)12-5-4-11(21)9-13(12)22/h4-9H,1-3H3/b16-8+
InChIKey
YGPGPZUEHRSAGU-LZYBPNLTSA-N
Compound name
(5E)-2-(2,4-dichlorophenyl)-5-[(3,4,5-trimethoxyphenyl)methylidene]-[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

463.01602 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.02330 207.2
[M+Na]+ 486.00524 224.6
[M+NH4]+ 481.04984 213.9
[M+K]+ 501.97918 217.2
[M-H]- 462.00874 211.2
[M+Na-2H]- 483.99069 213.5
[M]+ 463.01547 212.0
[M]- 463.01657 212.0
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

No patent data available for this compound.