CID 3087841

St 577

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

1
Patents

339.21982 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.22710 184.3
[M+Na]+ 362.20904 188.4
[M-H]- 338.21254 191.8
[M+NH4]+ 357.25364 198.9
[M+K]+ 378.18298 184.9
[M+H-H2O]+ 322.21708 174.7
[M+HCOO]- 384.21802 204.5
[M+CH3COO]- 398.23367 220.0
[M+Na-2H]- 360.19449 186.5
[M]+ 339.21927 186.3
[M]- 339.22037 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.