CID 3043814

56208-11-8

Structural Information

Molecular Formula
C21H28N2O
SMILES
C1COCCN1CCCNC(CC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H28N2O/c1-3-8-19(9-4-1)18-21(20-10-5-2-6-11-20)22-12-7-13-23-14-16-24-17-15-23/h1-6,8-11,21-22H,7,12-18H2
InChIKey
CZTJWRVPACNWER-UHFFFAOYSA-N
Compound name
N-(1,2-diphenylethyl)-3-morpholin-4-ylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.22015 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.227426 180.4
[M+Na]+ 347.209368 180.9
[M-H]- 323.212874 186.7
[M+NH4]+ 342.253973 189.9
[M+K]+ 363.183308 177.0
[M+H-H2O]+ 307.217410 169.3
[M+HCOO]- 369.218351 197.2
[M+CH3COO]- 383.234001 188.2
[M+Na-2H]- 345.194816 184.1
[M]+ 324.21960142 175.9
[M]- 324.22069858 175.9
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.