CID 1309856

Methyl 4-[(e)-(2-(2,4-dichlorophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6h)-ylidene)methyl]benzoate

Structural Information

Molecular Formula
C19H11Cl2N3O3S
SMILES
COC(=O)C1=CC=C(C=C1)/C=C/2\C(=O)N3C(=NC(=N3)C4=C(C=C(C=C4)Cl)Cl)S2
InChI
InChI=1S/C19H11Cl2N3O3S/c1-27-18(26)11-4-2-10(3-5-11)8-15-17(25)24-19(28-15)22-16(23-24)13-7-6-12(20)9-14(13)21/h2-9H,1H3/b15-8+
InChIKey
ZWBMFZWMODAJPA-OVCLIPMQSA-N
Compound name
methyl 4-[(E)-[2-(2,4-dichlorophenyl)-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.9898 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.99708 198.6
[M+Na]+ 453.97902 213.2
[M-H]- 429.98252 207.5
[M+NH4]+ 449.02362 211.6
[M+K]+ 469.95296 205.5
[M+H-H2O]+ 413.98706 191.2
[M+HCOO]- 475.98800 206.9
[M+CH3COO]- 490.00365 209.6
[M+Na-2H]- 451.96447 195.1
[M]+ 430.98925 209.5
[M]- 430.99035 209.5
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.