CID 5822091

93623-60-0

Structural Information

Molecular Formula
C19H18N2OS2
SMILES
CC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=C(C=C3)N(C)C)/SC2=S
InChI
InChI=1S/C19H18N2OS2/c1-13-4-8-16(9-5-13)21-18(22)17(24-19(21)23)12-14-6-10-15(11-7-14)20(2)3/h4-12H,1-3H3/b17-12-
InChIKey
JQMHEYNCNOYIOB-ATVHPVEESA-N
Compound name
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.08606 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.09334 182.3
[M+Na]+ 377.07528 191.5
[M-H]- 353.07878 192.3
[M+NH4]+ 372.11988 197.4
[M+K]+ 393.04922 184.2
[M+H-H2O]+ 337.08332 174.7
[M+HCOO]- 399.08426 194.8
[M+CH3COO]- 413.09991 193.1
[M+Na-2H]- 375.06073 178.0
[M]+ 354.08551 184.4
[M]- 354.08661 184.4
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.