CID 3087851

2-naphthalenamine, 1,2,3,4-tetrahydro-6,7-dimethoxy-n-(2-methoxy-2-phenylethyl)-, hydrochloride

Structural Information

Molecular Formula
C21H27NO3
SMILES
COC1=C(C=C2CC(CCC2=C1)NCC(C3=CC=CC=C3)OC)OC
InChI
InChI=1S/C21H27NO3/c1-23-19-12-16-9-10-18(11-17(16)13-20(19)24-2)22-14-21(25-3)15-7-5-4-6-8-15/h4-8,12-13,18,21-22H,9-11,14H2,1-3H3
InChIKey
QWXYKBOVJZROBE-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-N-(2-methoxy-2-phenylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

341.1991 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.206376 182.4
[M+Na]+ 364.188318 186.4
[M-H]- 340.191824 188.8
[M+NH4]+ 359.232923 196.2
[M+K]+ 380.162258 183.1
[M+H-H2O]+ 324.196360 173.2
[M+HCOO]- 386.197301 201.8
[M+CH3COO]- 400.212951 216.7
[M+Na-2H]- 362.173766 185.0
[M]+ 341.19855142 183.8
[M]- 341.19964858 183.8
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