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 206.4
[M+Na]+ 486.00524 221.6
[M-H]- 462.00874 215.7
[M+NH4]+ 481.04984 218.6
[M+K]+ 501.97918 214.6
[M+H-H2O]+ 446.01328 198.9
[M+HCOO]- 508.01422 215.2
[M+CH3COO]- 522.02987 217.4
[M+Na-2H]- 483.99069 202.3
[M]+ 463.01547 220.9
[M]- 463.01657 220.9
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.