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]+ 325.22743 180.4
[M+Na]+ 347.20937 180.9
[M-H]- 323.21287 186.7
[M+NH4]+ 342.25397 189.9
[M+K]+ 363.18331 177.0
[M+H-H2O]+ 307.21741 169.3
[M+HCOO]- 369.21835 197.2
[M+CH3COO]- 383.23400 188.2
[M+Na-2H]- 345.19482 184.1
[M]+ 324.21960 175.9
[M]- 324.22070 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.