CID 1932399

371216-13-6

Structural Information

Molecular Formula
C20H16ClN3O2S
SMILES
CC(C)OC1=CC=C(C=C1)C2=NN3C(=O)/C(=C/C4=CC=CC=C4Cl)/SC3=N2
InChI
InChI=1S/C20H16ClN3O2S/c1-12(2)26-15-9-7-13(8-10-15)18-22-20-24(23-18)19(25)17(27-20)11-14-5-3-4-6-16(14)21/h3-12H,1-2H3/b17-11-
InChIKey
CSLZSAWCPXGSRJ-BOPFTXTBSA-N
Compound name
(5Z)-5-[(2-chlorophenyl)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

397.0652 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.07248 193.9
[M+Na]+ 420.05442 207.3
[M-H]- 396.05792 203.0
[M+NH4]+ 415.09902 207.8
[M+K]+ 436.02836 199.6
[M+H-H2O]+ 380.06246 185.8
[M+HCOO]- 442.06340 206.8
[M+CH3COO]- 456.07905 205.3
[M+Na-2H]- 418.03987 191.1
[M]+ 397.06465 203.2
[M]- 397.06575 203.2
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.