CID 2272177

(5e)-5-({3-[2-(3-methoxyphenoxy)ethoxy]phenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C19H17NO4S2
SMILES
COC1=CC(=CC=C1)OCCOC2=CC=CC(=C2)/C=C/3\C(=O)NC(=S)S3
InChI
InChI=1S/C19H17NO4S2/c1-22-14-5-3-7-16(12-14)24-9-8-23-15-6-2-4-13(10-15)11-17-18(21)20-19(25)26-17/h2-7,10-12H,8-9H2,1H3,(H,20,21,25)/b17-11+
InChIKey
ANDCOMOYJGXFSD-GZTJUZNOSA-N
Compound name
(5E)-5-[[3-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

387.0599 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.06718 188.6
[M+Na]+ 410.04912 196.4
[M-H]- 386.05262 195.5
[M+NH4]+ 405.09372 200.8
[M+K]+ 426.02306 188.9
[M+H-H2O]+ 370.05716 181.3
[M+HCOO]- 432.05810 199.2
[M+CH3COO]- 446.07375 211.4
[M+Na-2H]- 408.03457 185.2
[M]+ 387.05935 192.0
[M]- 387.06045 192.0
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