CID 58758927

(s)-n-methyl-3-(naphthalen-1-yloxy)-3-(thiophen-3-yl)propan-1-amine hydrochloride

Structural Information

Molecular Formula
C18H19NOS
SMILES
CNCC[C@@H](C1=CSC=C1)OC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C18H19NOS/c1-19-11-9-17(15-10-12-21-13-15)20-18-8-4-6-14-5-2-3-7-16(14)18/h2-8,10,12-13,17,19H,9,11H2,1H3/t17-/m0/s1
InChIKey
GMHDOCXPDYDKOR-KRWDZBQOSA-N
Compound name
(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-3-ylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

297.11874 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.12602 168.2
[M+Na]+ 320.10796 175.8
[M-H]- 296.11146 176.0
[M+NH4]+ 315.15256 186.6
[M+K]+ 336.08190 170.5
[M+H-H2O]+ 280.11600 161.0
[M+HCOO]- 342.11694 188.6
[M+CH3COO]- 356.13259 180.2
[M+Na-2H]- 318.09341 171.6
[M]+ 297.11819 172.7
[M]- 297.11929 172.7
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