CID 1819991

870554-60-2

Structural Information

Molecular Formula
C18H14ClNO2S
SMILES
CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC=C(C=C3)Cl)/SC2=O
InChI
InChI=1S/C18H14ClNO2S/c1-12-2-4-14(5-3-12)11-20-17(21)16(23-18(20)22)10-13-6-8-15(19)9-7-13/h2-10H,11H2,1H3/b16-10-
InChIKey
KZLKXQJXVRKSKW-YBEGLDIGSA-N
Compound name
(5Z)-5-[(4-chlorophenyl)methylidene]-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

343.04337 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.05065 179.5
[M+Na]+ 366.03259 190.1
[M-H]- 342.03609 188.8
[M+NH4]+ 361.07719 195.2
[M+K]+ 382.00653 182.3
[M+H-H2O]+ 326.04063 172.4
[M+HCOO]- 388.04157 192.0
[M+CH3COO]- 402.05722 191.0
[M+Na-2H]- 364.01804 176.3
[M]+ 343.04282 183.0
[M]- 343.04392 183.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe