CID 1555648

Imb-10

Structural Information

Molecular Formula
C19H15NOS2
SMILES
CC1=CC=CC=C1N2C(=O)/C(=C/C=C/C3=CC=CC=C3)/SC2=S
InChI
InChI=1S/C19H15NOS2/c1-14-8-5-6-12-16(14)20-18(21)17(23-19(20)22)13-7-11-15-9-3-2-4-10-15/h2-13H,1H3/b11-7+,17-13-
InChIKey
UYZLENPCNZVWQZ-DNZSEPECSA-N
Compound name
(5Z)-3-(2-methylphenyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

14
Patents

337.0595 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.06678 178.2
[M+Na]+ 360.04872 191.9
[M+NH4]+ 355.09332 186.9
[M+K]+ 376.02266 180.5
[M-H]- 336.05222 183.8
[M+Na-2H]- 358.03417 185.2
[M]+ 337.05895 182.7
[M]- 337.06005 182.7
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