CID 489142

(2z)-5-butyl-3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-thiazolidin-4-one

Structural Information

Molecular Formula
C19H18Cl2N2OS
SMILES
CCCCC1C(=O)N(C(=NC2=CC=C(C=C2)Cl)S1)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H18Cl2N2OS/c1-2-3-4-17-18(24)23(16-11-7-14(21)8-12-16)19(25-17)22-15-9-5-13(20)6-10-15/h5-12,17H,2-4H2,1H3
InChIKey
KFBPQAWXWPTGBN-UHFFFAOYSA-N
Compound name
5-butyl-3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.0517 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.05898 193.0
[M+Na]+ 415.04092 202.7
[M-H]- 391.04442 202.4
[M+NH4]+ 410.08552 207.6
[M+K]+ 431.01486 194.4
[M+H-H2O]+ 375.04896 185.3
[M+HCOO]- 437.04990 202.0
[M+CH3COO]- 451.06555 203.3
[M+Na-2H]- 413.02637 189.3
[M]+ 392.05115 198.3
[M]- 392.05225 198.3
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.