CID 3043420

3-(3-morpholinopropyl)-2-(phenylimino)-4-thiazolidinone

Structural Information

Molecular Formula
C16H21N3O2S
SMILES
C1COCCN1CCCN2C(=O)CSC2=NC3=CC=CC=C3
InChI
InChI=1S/C16H21N3O2S/c20-15-13-22-16(17-14-5-2-1-3-6-14)19(15)8-4-7-18-9-11-21-12-10-18/h1-3,5-6H,4,7-13H2
InChIKey
VHYXCLOASBURTO-UHFFFAOYSA-N
Compound name
3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

319.13544 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.14272 174.5
[M+Na]+ 342.12466 179.1
[M-H]- 318.12816 182.3
[M+NH4]+ 337.16926 187.0
[M+K]+ 358.09860 175.9
[M+H-H2O]+ 302.13270 165.1
[M+HCOO]- 364.13364 188.4
[M+CH3COO]- 378.14929 184.1
[M+Na-2H]- 340.11011 173.6
[M]+ 319.13489 172.6
[M]- 319.13599 172.6
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

No patent data available for this compound.