CID 3087851

116680-75-2

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

2
Patents

341.1991 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.20638 182.4
[M+Na]+ 364.18832 186.4
[M-H]- 340.19182 188.8
[M+NH4]+ 359.23292 196.2
[M+K]+ 380.16226 183.1
[M+H-H2O]+ 324.19636 173.2
[M+HCOO]- 386.19730 201.8
[M+CH3COO]- 400.21295 216.7
[M+Na-2H]- 362.17377 185.0
[M]+ 341.19855 183.8
[M]- 341.19965 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