CID 135844261

5-{4-[(4-chlorobenzyl)oxy]benzylidene}-2-[(4-hydroxyphenyl)imino]-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C23H17ClN2O3S
SMILES
C1=CC(=CC=C1COC2=CC=C(C=C2)/C=C\3/C(=O)NC(=NC4=CC=C(C=C4)O)S3)Cl
InChI
InChI=1S/C23H17ClN2O3S/c24-17-5-1-16(2-6-17)14-29-20-11-3-15(4-12-20)13-21-22(28)26-23(30-21)25-18-7-9-19(27)10-8-18/h1-13,27H,14H2,(H,25,26,28)/b21-13-
InChIKey
RTEVGFMQBZEBSQ-BKUYFWCQSA-N
Compound name
(5Z)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.06485 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.07213 202.6
[M+Na]+ 459.05407 217.5
[M+NH4]+ 454.09867 210.0
[M+K]+ 475.02801 207.7
[M-H]- 435.05757 209.9
[M+Na-2H]- 457.03952 211.9
[M]+ 436.06430 207.5
[M]- 436.06540 207.5
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.