CID 2280145

618073-41-9

Structural Information

Molecular Formula
C20H15Cl2N3O2S
SMILES
CC(C)OC1=CC=C(C=C1)C2=NN3C(=O)/C(=C\C4=CC(=C(C=C4)Cl)Cl)/SC3=N2
InChI
InChI=1S/C20H15Cl2N3O2S/c1-11(2)27-14-6-4-13(5-7-14)18-23-20-25(24-18)19(26)17(28-20)10-12-3-8-15(21)16(22)9-12/h3-11H,1-2H3/b17-10+
InChIKey
BRBWNYACXOWVCA-LICLKQGHSA-N
Compound name
(5E)-5-[(3,4-dichlorophenyl)methylidene]-2-(4-propan-2-yloxyphenyl)-[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

431.0262 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.03348 199.0
[M+Na]+ 454.01542 216.5
[M+NH4]+ 449.06002 206.8
[M+K]+ 469.98936 208.5
[M-H]- 430.01892 203.7
[M+Na-2H]- 452.00087 206.5
[M]+ 431.02565 204.0
[M]- 431.02675 204.0
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.