CID 3043426

Brn 1039223

Structural Information

Molecular Formula
C16H20ClN3O2S
SMILES
C1COCCN1CCCN2C(=O)CSC2=NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H20ClN3O2S/c17-13-2-4-14(5-3-13)18-16-20(15(21)12-23-16)7-1-6-19-8-10-22-11-9-19/h2-5H,1,6-12H2
InChIKey
IKJOJBUFLNQTND-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)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

353.09647 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.10375 183.1
[M+Na]+ 376.08569 189.1
[M-H]- 352.08919 191.1
[M+NH4]+ 371.13029 195.3
[M+K]+ 392.05963 184.5
[M+H-H2O]+ 336.09373 174.2
[M+HCOO]- 398.09467 192.1
[M+CH3COO]- 412.11032 192.5
[M+Na-2H]- 374.07114 180.8
[M]+ 353.09592 183.5
[M]- 353.09702 183.5
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.