CID 5500244

294652-71-4

Structural Information

Molecular Formula
C17H21N3O3S
SMILES
CN(C)C1=CC=C(C=C1)/C=C/2\C(=O)N(C(=O)S2)CN3CCOCC3
InChI
InChI=1S/C17H21N3O3S/c1-18(2)14-5-3-13(4-6-14)11-15-16(21)20(17(22)24-15)12-19-7-9-23-10-8-19/h3-6,11H,7-10,12H2,1-2H3/b15-11+
InChIKey
BGIGADXZYOGTEN-RVDMUPIBSA-N
Compound name
(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.13037 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.13765 182.5
[M+Na]+ 370.11959 188.1
[M-H]- 346.12309 191.0
[M+NH4]+ 365.16419 194.1
[M+K]+ 386.09353 185.1
[M+H-H2O]+ 330.12763 173.6
[M+HCOO]- 392.12857 195.2
[M+CH3COO]- 406.14422 213.8
[M+Na-2H]- 368.10504 179.0
[M]+ 347.12982 181.9
[M]- 347.13092 181.9
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.