CID 1930870

371126-97-5

Structural Information

Molecular Formula
C24H25N3O2S
SMILES
CC(C)OC1=CC=C(C=C1)C2=NN3C(=O)/C(=C\C4=CC=C(C=C4)C(C)(C)C)/SC3=N2
InChI
InChI=1S/C24H25N3O2S/c1-15(2)29-19-12-8-17(9-13-19)21-25-23-27(26-21)22(28)20(30-23)14-16-6-10-18(11-7-16)24(3,4)5/h6-15H,1-5H3/b20-14+
InChIKey
PGWRSZNLJWJNEE-XSFVSMFZSA-N
Compound name
(5E)-5-[(4-tert-butylphenyl)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

419.16675 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.174026 205.9
[M+Na]+ 442.155968 217.2
[M-H]- 418.159474 215.0
[M+NH4]+ 437.200573 218.2
[M+K]+ 458.129908 210.6
[M+H-H2O]+ 402.164010 197.8
[M+HCOO]- 464.164951 220.6
[M+CH3COO]- 478.180601 216.2
[M+Na-2H]- 440.141416 203.0
[M]+ 419.16620142 214.0
[M]- 419.16729858 214.0
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.