CID 6287560

538340-11-3

Structural Information

Molecular Formula
C18H11Cl2N3O2S
SMILES
COC1=CC=C(C=C1)C2=NN3C(=O)/C(=C/C4=C(C=C(C=C4)Cl)Cl)/SC3=N2
InChI
InChI=1S/C18H11Cl2N3O2S/c1-25-13-6-3-10(4-7-13)16-21-18-23(22-16)17(24)15(26-18)8-11-2-5-12(19)9-14(11)20/h2-9H,1H3/b15-8-
InChIKey
UUROLVKXXBWOJN-NVNXTCNLSA-N
Compound name
(5Z)-5-[(2,4-dichlorophenyl)methylidene]-2-(4-methoxyphenyl)-[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

402.9949 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.00218 191.1
[M+Na]+ 425.98412 209.4
[M+NH4]+ 421.02872 199.3
[M+K]+ 441.95806 200.9
[M-H]- 401.98762 196.0
[M+Na-2H]- 423.96957 199.2
[M]+ 402.99435 196.3
[M]- 402.99545 196.3
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.