CID 18869364

(5e)-2-(4-ethoxyphenyl)-5-(4-isopropoxy-3-methoxybenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5h)-one

Structural Information

Molecular Formula
C23H23N3O4S
SMILES
CCOC1=CC=C(C=C1)C2=NN3C(=O)/C(=C\C4=CC(=C(C=C4)OC(C)C)OC)/SC3=N2
InChI
InChI=1S/C23H23N3O4S/c1-5-29-17-9-7-16(8-10-17)21-24-23-26(25-21)22(27)20(31-23)13-15-6-11-18(30-14(2)3)19(12-15)28-4/h6-14H,5H2,1-4H3/b20-13+
InChIKey
FVSCKAPIGMEFMG-DEDYPNTBSA-N
Compound name
(5E)-2-(4-ethoxyphenyl)-5-[(3-methoxy-4-propan-2-yloxyphenyl)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

437.14093 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.148206 205.7
[M+Na]+ 460.130148 217.1
[M-H]- 436.133654 214.8
[M+NH4]+ 455.174753 217.0
[M+K]+ 476.104088 211.5
[M+H-H2O]+ 420.138190 197.1
[M+HCOO]- 482.139131 222.5
[M+CH3COO]- 496.154781 216.1
[M+Na-2H]- 458.115596 202.0
[M]+ 437.14038142 217.0
[M]- 437.14147858 217.0
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.