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 203.2
[M+Na]+ 459.05407 211.3
[M-H]- 435.05757 213.6
[M+NH4]+ 454.09867 213.3
[M+K]+ 475.02801 202.0
[M+H-H2O]+ 419.06211 194.3
[M+HCOO]- 481.06305 215.1
[M+CH3COO]- 495.07870 212.0
[M+Na-2H]- 457.03952 200.7
[M]+ 436.06430 204.9
[M]- 436.06540 204.9
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.