CID 15107528

N-despropyl-rotigotine

Structural Information

Molecular Formula
C16H19NOS
SMILES
C1CC2=C(CC1NCCC3=CC=CS3)C=CC=C2O
InChI
InChI=1S/C16H19NOS/c18-16-5-1-3-12-11-13(6-7-15(12)16)17-9-8-14-4-2-10-19-14/h1-5,10,13,17-18H,6-9,11H2
InChIKey
RDMWWGLKUMLLTG-UHFFFAOYSA-N
Compound name
6-(2-thiophen-2-ylethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

273.11874 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.12602 161.0
[M+Na]+ 296.10796 172.6
[M+NH4]+ 291.15256 171.1
[M+K]+ 312.08190 164.2
[M-H]- 272.11146 166.4
[M+Na-2H]- 294.09341 167.7
[M]+ 273.11819 164.6
[M]- 273.11929 164.6
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