CID 3087841

116680-70-7

Structural Information

Molecular Formula
C22H29NO2
SMILES
CCN(CCC1=CC=CC=C1)C2CCC3=CC(=C(C=C3C2)OC)OC
InChI
InChI=1S/C22H29NO2/c1-4-23(13-12-17-8-6-5-7-9-17)20-11-10-18-15-21(24-2)22(25-3)16-19(18)14-20/h5-9,15-16,20H,4,10-14H2,1-3H3
InChIKey
OYWRWUOFQUFGBD-UHFFFAOYSA-N
Compound name
N-ethyl-6,7-dimethoxy-N-(2-phenylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

339.21982 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.227096 184.3
[M+Na]+ 362.209038 188.4
[M-H]- 338.212544 191.8
[M+NH4]+ 357.253643 198.9
[M+K]+ 378.182978 184.9
[M+H-H2O]+ 322.217080 174.7
[M+HCOO]- 384.218021 204.5
[M+CH3COO]- 398.233671 220.0
[M+Na-2H]- 360.194486 186.5
[M]+ 339.21927142 186.3
[M]- 339.22036858 186.3
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

No patent data available for this compound.