CID 3046449

Dan-2805

Structural Information

Molecular Formula
C28H29NO2
SMILES
CC(COC1=CC=CC2=CC=CC=C21)NCCOC(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C28H29NO2/c1-22(21-31-27-18-10-16-23-11-8-9-17-26(23)27)29-19-20-30-28(24-12-4-2-5-13-24)25-14-6-3-7-15-25/h2-18,22,28-29H,19-21H2,1H3
InChIKey
UWSDSQCOXUJQFW-UHFFFAOYSA-N
Compound name
N-(2-benzhydryloxyethyl)-1-naphthalen-1-yloxypropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.21982 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.22710 202.7
[M+Na]+ 434.20904 204.5
[M-H]- 410.21254 211.0
[M+NH4]+ 429.25364 212.0
[M+K]+ 450.18298 198.6
[M+H-H2O]+ 394.21708 191.1
[M+HCOO]- 456.21802 222.1
[M+CH3COO]- 470.23367 210.1
[M+Na-2H]- 432.19449 205.9
[M]+ 411.21927 203.2
[M]- 411.22037 203.2
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.