CID 15332818

133467-41-1

Structural Information

Molecular Formula
C18H29NO3S
SMILES
CCCCC(CC)COC1=CC=C(C=C1)N2CCS(=O)(=O)CC2
InChI
InChI=1S/C18H29NO3S/c1-3-5-6-16(4-2)15-22-18-9-7-17(8-10-18)19-11-13-23(20,21)14-12-19/h7-10,16H,3-6,11-15H2,1-2H3
InChIKey
GLCCHYHDMZUWMD-UHFFFAOYSA-N
Compound name
4-[4-(2-ethylhexoxy)phenyl]-1,4-thiazinane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

136
Patents

339.18683 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.19411 180.3
[M+Na]+ 362.17605 191.0
[M+NH4]+ 357.22065 188.6
[M+K]+ 378.14999 180.1
[M-H]- 338.17955 182.8
[M+Na-2H]- 360.16150 186.6
[M]+ 339.18628 183.0
[M]- 339.18738 183.0
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

patents stripe