CID 3088841

119558-30-4

Structural Information

Molecular Formula
C15H23NO2S
SMILES
CN(C)C[C@H]1CSCC[C@]1(C2=CC=CC=C2OC)O
InChI
InChI=1S/C15H23NO2S/c1-16(2)10-12-11-19-9-8-15(12,17)13-6-4-5-7-14(13)18-3/h4-7,12,17H,8-11H2,1-3H3/t12-,15-/m0/s1
InChIKey
RUZOBACCSBPHON-WFASDCNBSA-N
Compound name
(3R,4S)-3-[(dimethylamino)methyl]-4-(2-methoxyphenyl)thian-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.14496 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.15224 164.0
[M+Na]+ 304.13418 174.6
[M+NH4]+ 299.17878 174.3
[M+K]+ 320.10812 164.4
[M-H]- 280.13768 168.7
[M+Na-2H]- 302.11963 172.0
[M]+ 281.14441 167.5
[M]- 281.14551 167.5
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.