CID 2277378

618073-49-7

Structural Information

Molecular Formula
C20H15Cl2N3O2S
SMILES
CC(C)OC1=CC=C(C=C1)C2=NN3C(=O)/C(=C\C4=C(C=C(C=C4)Cl)Cl)/SC3=N2
InChI
InChI=1S/C20H15Cl2N3O2S/c1-11(2)27-15-7-4-12(5-8-15)18-23-20-25(24-18)19(26)17(28-20)9-13-3-6-14(21)10-16(13)22/h3-11H,1-2H3/b17-9+
InChIKey
BGFMRPFIPPZSMX-RQZCQDPDSA-N
Compound name
(5E)-5-[(2,4-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 200.2
[M+Na]+ 454.01542 214.4
[M-H]- 430.01892 208.9
[M+NH4]+ 449.06002 213.4
[M+K]+ 469.98936 206.2
[M+H-H2O]+ 414.02346 192.5
[M+HCOO]- 476.02440 207.8
[M+CH3COO]- 490.04005 211.0
[M+Na-2H]- 452.00087 196.1
[M]+ 431.02565 210.9
[M]- 431.02675 210.9
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.