CID 3046451

Dan-2806

Structural Information

Molecular Formula
C25H29NO2
SMILES
CC1=CC(=CC=C1)OCC(C)NCCOC(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C25H29NO2/c1-20-10-9-15-24(18-20)28-19-21(2)26-16-17-27-25(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-15,18,21,25-26H,16-17,19H2,1-2H3
InChIKey
RAAQXVJBKWRGRI-UHFFFAOYSA-N
Compound name
N-(2-benzhydryloxyethyl)-1-(3-methylphenoxy)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.21982 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.227096 194.7
[M+Na]+ 398.209038 196.8
[M-H]- 374.212544 202.7
[M+NH4]+ 393.253643 205.1
[M+K]+ 414.182978 192.0
[M+H-H2O]+ 358.217080 183.9
[M+HCOO]- 420.218021 215.8
[M+CH3COO]- 434.233671 222.4
[M+Na-2H]- 396.194486 196.5
[M]+ 375.21927142 195.8
[M]- 375.22036858 195.8
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.