CID 1590272

538340-12-4

Structural Information

Molecular Formula
C19H13Cl2N3O2S
SMILES
CCOC1=CC=C(C=C1)C2=NN3C(=O)/C(=C/C4=C(C=C(C=C4)Cl)Cl)/SC3=N2
InChI
InChI=1S/C19H13Cl2N3O2S/c1-2-26-14-7-4-11(5-8-14)17-22-19-24(23-17)18(25)16(27-19)9-12-3-6-13(20)10-15(12)21/h3-10H,2H2,1H3/b16-9-
InChIKey
BSGMGKFJTCGEGL-SXGWCWSVSA-N
Compound name
(5Z)-5-[(2,4-dichlorophenyl)methylidene]-2-(4-ethoxyphenyl)-[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

417.01056 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.01784 196.9
[M+Na]+ 439.99978 211.9
[M-H]- 416.00328 205.5
[M+NH4]+ 435.04438 210.7
[M+K]+ 455.97372 203.4
[M+H-H2O]+ 400.00782 189.0
[M+HCOO]- 462.00876 205.7
[M+CH3COO]- 476.02441 208.1
[M+Na-2H]- 437.98523 193.9
[M]+ 417.01001 207.6
[M]- 417.01111 207.6
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.