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

17
Patents

297.11874 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.126016 168.2
[M+Na]+ 320.107958 175.8
[M-H]- 296.111464 176.0
[M+NH4]+ 315.152563 186.6
[M+K]+ 336.081898 170.5
[M+H-H2O]+ 280.116000 161.0
[M+HCOO]- 342.116941 188.6
[M+CH3COO]- 356.132591 180.2
[M+Na-2H]- 318.093406 171.6
[M]+ 297.11819142 172.7
[M]- 297.11928858 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