CID 27271164

864431-36-7

Structural Information

Molecular Formula
C21H23NO2
SMILES
COC1=CC=C(C=C1)CCNCC2=CC=C(C3=CC=CC=C23)OC
InChI
InChI=1S/C21H23NO2/c1-23-18-10-7-16(8-11-18)13-14-22-15-17-9-12-21(24-2)20-6-4-3-5-19(17)20/h3-12,22H,13-15H2,1-2H3
InChIKey
SNBZXHDTILHVJS-UHFFFAOYSA-N
Compound name
N-[(4-methoxynaphthalen-1-yl)methyl]-2-(4-methoxyphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

321.17288 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.18016 177.3
[M+Na]+ 344.16210 183.9
[M-H]- 320.16560 184.5
[M+NH4]+ 339.20670 192.2
[M+K]+ 360.13604 178.9
[M+H-H2O]+ 304.17014 168.1
[M+HCOO]- 366.17108 200.4
[M+CH3COO]- 380.18673 213.0
[M+Na-2H]- 342.14755 182.9
[M]+ 321.17233 180.6
[M]- 321.17343 180.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.