CID 1352433

301229-39-0

Structural Information

Molecular Formula
C20H18N2O2S2
SMILES
CC(C)C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C20H18N2O2S2/c1-13(2)15-10-8-14(9-11-15)12-17-19(24)22(20(25)26-17)21-18(23)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,21,23)/b17-12-
InChIKey
SWDAURBSOYSTQD-ATVHPVEESA-N
Compound name
N-[(5Z)-4-oxo-5-[(4-propan-2-ylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.08096 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.08824 189.8
[M+Na]+ 405.07018 196.8
[M-H]- 381.07368 197.9
[M+NH4]+ 400.11478 202.4
[M+K]+ 421.04412 189.1
[M+H-H2O]+ 365.07822 182.2
[M+HCOO]- 427.07916 199.9
[M+CH3COO]- 441.09481 217.7
[M+Na-2H]- 403.05563 184.8
[M]+ 382.08041 190.1
[M]- 382.08151 190.1
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.