CID 50988021

2-chloro-n-(2-{5-[(4-ethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}ethyl)acetamide

Structural Information

Molecular Formula
C16H17ClN2O4S
SMILES
CCOC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=O)S2)CCNC(=O)CCl
InChI
InChI=1S/C16H17ClN2O4S/c1-2-23-12-5-3-11(4-6-12)9-13-15(21)19(16(22)24-13)8-7-18-14(20)10-17/h3-6,9H,2,7-8,10H2,1H3,(H,18,20)/b13-9+
InChIKey
RCHKUFUWOYBEKM-UKTHLTGXSA-N
Compound name
2-chloro-N-[2-[(5E)-5-[(4-ethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.05975 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.06703 184.3
[M+Na]+ 391.04897 191.8
[M-H]- 367.05247 189.7
[M+NH4]+ 386.09357 198.4
[M+K]+ 407.02291 185.8
[M+H-H2O]+ 351.05701 177.6
[M+HCOO]- 413.05795 196.4
[M+CH3COO]- 427.07360 212.8
[M+Na-2H]- 389.03442 180.7
[M]+ 368.05920 189.8
[M]- 368.06030 189.8
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.