CID 217560

Brn 1105968

Structural Information

Molecular Formula
C18H35NOS
SMILES
C[C@H]1CC[C@@H]([C@H](C1)OCCCCCN2CCSC2)C(C)C
InChI
InChI=1S/C18H35NOS/c1-15(2)17-8-7-16(3)13-18(17)20-11-6-4-5-9-19-10-12-21-14-19/h15-18H,4-14H2,1-3H3/t16-,17+,18-/m0/s1
InChIKey
RWTQFBWCUCVJQF-KSZLIROESA-N
Compound name
3-[5-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxypentyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.24393 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.25121 179.8
[M+Na]+ 336.23315 187.4
[M+NH4]+ 331.27775 188.0
[M+K]+ 352.20709 180.0
[M-H]- 312.23665 182.5
[M+Na-2H]- 334.21860 181.7
[M]+ 313.24338 181.9
[M]- 313.24448 181.9
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.