CID 1930640

(5e)-2-(4-isopropoxyphenyl)-5-(4-isopropylbenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5h)-one

Structural Information

Molecular Formula
C23H23N3O2S
SMILES
CC(C)C1=CC=C(C=C1)/C=C/2\C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)OC(C)C)S2
InChI
InChI=1S/C23H23N3O2S/c1-14(2)17-7-5-16(6-8-17)13-20-22(27)26-23(29-20)24-21(25-26)18-9-11-19(12-10-18)28-15(3)4/h5-15H,1-4H3/b20-13+
InChIKey
QVIXEOFRRBJDDY-DEDYPNTBSA-N
Compound name
(5E)-2-(4-propan-2-yloxyphenyl)-5-[(4-propan-2-ylphenyl)methylidene]-[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

405.1511 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.15838 199.4
[M+Na]+ 428.14032 210.4
[M-H]- 404.14382 208.3
[M+NH4]+ 423.18492 212.0
[M+K]+ 444.11426 203.9
[M+H-H2O]+ 388.14836 191.0
[M+HCOO]- 450.14930 214.9
[M+CH3COO]- 464.16495 209.9
[M+Na-2H]- 426.12577 194.9
[M]+ 405.15055 207.1
[M]- 405.15165 207.1
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.