CID 1931793

371138-04-4

Structural Information

Molecular Formula
C20H17N3O2S
SMILES
CC(C)OC1=CC=C(C=C1)C2=NN3C(=O)/C(=C\C4=CC=CC=C4)/SC3=N2
InChI
InChI=1S/C20H17N3O2S/c1-13(2)25-16-10-8-15(9-11-16)18-21-20-23(22-18)19(24)17(26-20)12-14-6-4-3-5-7-14/h3-13H,1-2H3/b17-12+
InChIKey
GFJGGPIILOFWGV-SFQUDFHCSA-N
Compound name
(5E)-5-benzylidene-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

363.10416 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.11144 186.3
[M+Na]+ 386.09338 198.4
[M-H]- 362.09688 195.3
[M+NH4]+ 381.13798 200.5
[M+K]+ 402.06732 191.9
[M+H-H2O]+ 346.10142 178.0
[M+HCOO]- 408.10236 204.1
[M+CH3COO]- 422.11801 198.0
[M+Na-2H]- 384.07883 184.9
[M]+ 363.10361 193.3
[M]- 363.10471 193.3
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.