CID 3046447

Dan-2804

Structural Information

Molecular Formula
C24H27NO2
SMILES
CC(COC1=CC=CC=C1)NCCOC(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C24H27NO2/c1-20(19-27-23-15-9-4-10-16-23)25-17-18-26-24(21-11-5-2-6-12-21)22-13-7-3-8-14-22/h2-16,20,24-25H,17-19H2,1H3
InChIKey
YIONSTVZRPJMGM-UHFFFAOYSA-N
Compound name
N-(2-benzhydryloxyethyl)-1-phenoxypropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

361.2042 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.21148 189.9
[M+Na]+ 384.19342 191.5
[M-H]- 360.19692 197.7
[M+NH4]+ 379.23802 200.5
[M+K]+ 400.16736 186.8
[M+H-H2O]+ 344.20146 179.1
[M+HCOO]- 406.20240 211.3
[M+CH3COO]- 420.21805 218.3
[M+Na-2H]- 382.17887 193.0
[M]+ 361.20365 190.3
[M]- 361.20475 190.3
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

patents stripe