CID 135446671

2-((4-chlorophenyl)imino)-5-(4-ethoxybenzyl)-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C18H17ClN2O2S
SMILES
CCOC1=CC=C(C=C1)CC2C(=O)NC(=NC3=CC=C(C=C3)Cl)S2
InChI
InChI=1S/C18H17ClN2O2S/c1-2-23-15-9-3-12(4-10-15)11-16-17(22)21-18(24-16)20-14-7-5-13(19)6-8-14/h3-10,16H,2,11H2,1H3,(H,20,21,22)
InChIKey
COKJUVAWPPQMNC-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)imino-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.06992 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.07720 183.8
[M+Na]+ 383.05914 192.3
[M-H]- 359.06264 192.5
[M+NH4]+ 378.10374 198.3
[M+K]+ 399.03308 184.9
[M+H-H2O]+ 343.06718 176.0
[M+HCOO]- 405.06812 197.2
[M+CH3COO]- 419.08377 194.4
[M+Na-2H]- 381.04459 182.2
[M]+ 360.06937 187.0
[M]- 360.07047 187.0
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.