CID 3043425

Brn 1040209

Structural Information

Molecular Formula
C17H23N3O3S
SMILES
COC1=CC=C(C=C1)N=C2N(C(=O)CS2)CCCN3CCOCC3
InChI
InChI=1S/C17H23N3O3S/c1-22-15-5-3-14(4-6-15)18-17-20(16(21)13-24-17)8-2-7-19-9-11-23-12-10-19/h3-6H,2,7-13H2,1H3
InChIKey
GUUIMMLXUXGELL-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)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

349.14603 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.15331 182.2
[M+Na]+ 372.13525 186.9
[M-H]- 348.13875 190.1
[M+NH4]+ 367.17985 193.6
[M+K]+ 388.10919 184.1
[M+H-H2O]+ 332.14329 172.7
[M+HCOO]- 394.14423 195.8
[M+CH3COO]- 408.15988 212.4
[M+Na-2H]- 370.12070 180.4
[M]+ 349.14548 182.4
[M]- 349.14658 182.4
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.