CID 3043422

55469-58-4

Structural Information

Molecular Formula
C17H23N3O2S
SMILES
CC1=CC=C(C=C1)N=C2N(C(=O)CS2)CCCN3CCOCC3
InChI
InChI=1S/C17H23N3O2S/c1-14-3-5-15(6-4-14)18-17-20(16(21)13-23-17)8-2-7-19-9-11-22-12-10-19/h3-6H,2,7-13H2,1H3
InChIKey
ZDQPPESKBCASQW-UHFFFAOYSA-N
Compound name
2-(4-methylphenyl)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

333.1511 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.15838 179.4
[M+Na]+ 356.14032 184.5
[M-H]- 332.14382 187.5
[M+NH4]+ 351.18492 191.7
[M+K]+ 372.11426 181.0
[M+H-H2O]+ 316.14836 170.1
[M+HCOO]- 378.14930 192.9
[M+CH3COO]- 392.16495 210.2
[M+Na-2H]- 354.12577 177.4
[M]+ 333.15055 178.3
[M]- 333.15165 178.3
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.