CID 3043424

3-(3-morpholinopropyl)-2-(2,6-xylylimino)-4-thiazolidinone

Structural Information

Molecular Formula
C18H25N3O2S
SMILES
CC1=C(C(=CC=C1)C)N=C2N(C(=O)CS2)CCCN3CCOCC3
InChI
InChI=1S/C18H25N3O2S/c1-14-5-3-6-15(2)17(14)19-18-21(16(22)13-24-18)8-4-7-20-9-11-23-12-10-20/h3,5-6H,4,7-13H2,1-2H3
InChIKey
XXMAAYGBBDBBIL-UHFFFAOYSA-N
Compound name
2-(2,6-dimethylphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.16675 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.17403 183.9
[M+Na]+ 370.15597 194.7
[M+NH4]+ 365.20057 191.2
[M+K]+ 386.12991 187.4
[M-H]- 346.15947 190.1
[M+Na-2H]- 368.14142 188.6
[M]+ 347.16620 187.5
[M]- 347.16730 187.5
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.