CID 3043423

55469-59-5

Structural Information

Molecular Formula
C18H25N3O2S
SMILES
CC1=CC(=C(C=C1)N=C2N(C(=O)CS2)CCCN3CCOCC3)C
InChI
InChI=1S/C18H25N3O2S/c1-14-4-5-16(15(2)12-14)19-18-21(17(22)13-24-18)7-3-6-20-8-10-23-11-9-20/h4-5,12H,3,6-11,13H2,1-2H3
InChIKey
SZXTYPILBGWPQL-UHFFFAOYSA-N
Compound name
2-(2,4-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 184.3
[M+Na]+ 370.15597 189.8
[M-H]- 346.15947 192.5
[M+NH4]+ 365.20057 196.2
[M+K]+ 386.12991 186.0
[M+H-H2O]+ 330.16401 175.0
[M+HCOO]- 392.16495 197.4
[M+CH3COO]- 406.18060 214.4
[M+Na-2H]- 368.14142 181.0
[M]+ 347.16620 183.9
[M]- 347.16730 183.9
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.