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]+ 420.17403 205.9
[M+Na]+ 442.15597 217.2
[M-H]- 418.15947 215.0
[M+NH4]+ 437.20057 218.2
[M+K]+ 458.12991 210.6
[M+H-H2O]+ 402.16401 197.8
[M+HCOO]- 464.16495 220.6
[M+CH3COO]- 478.18060 216.2
[M+Na-2H]- 440.14142 203.0
[M]+ 419.16620 214.0
[M]- 419.16730 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.