CID 217446

38914-82-8

Structural Information

Molecular Formula
C15H23NOS
SMILES
CC1N(CCS1)CCCCC2=CC=C(C=C2)OC
InChI
InChI=1S/C15H23NOS/c1-13-16(11-12-18-13)10-4-3-5-14-6-8-15(17-2)9-7-14/h6-9,13H,3-5,10-12H2,1-2H3
InChIKey
NTNVPTACMKRSEG-UHFFFAOYSA-N
Compound name
3-[4-(4-methoxyphenyl)butyl]-2-methyl-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.15002 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.157296 162.9
[M+Na]+ 288.139238 169.4
[M-H]- 264.142744 167.8
[M+NH4]+ 283.183843 180.9
[M+K]+ 304.113178 165.6
[M+H-H2O]+ 248.147280 155.5
[M+HCOO]- 310.148221 178.8
[M+CH3COO]- 324.163871 196.2
[M+Na-2H]- 286.124686 161.3
[M]+ 265.14947142 165.4
[M]- 265.15056858 165.4
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.