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]+ 266.15730 162.9
[M+Na]+ 288.13924 169.4
[M-H]- 264.14274 167.8
[M+NH4]+ 283.18384 180.9
[M+K]+ 304.11318 165.6
[M+H-H2O]+ 248.14728 155.5
[M+HCOO]- 310.14822 178.8
[M+CH3COO]- 324.16387 196.2
[M+Na-2H]- 286.12469 161.3
[M]+ 265.14947 165.4
[M]- 265.15057 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.