CID 187770

1,1-diphenyl-1-methoxy-3-benzylaminopropane

Structural Information

Molecular Formula

C₂₃H₂₅NO

SMILES

COC(CCNCC1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H25NO/c1-25-23(21-13-7-3-8-14-21,22-15-9-4-10-16-22)17-18-24-19-20-11-5-2-6-12-20/h2-16,24H,17-19H2,1H3

InChIKey

DAHOFCRMBFZKDA-UHFFFAOYSA-N

Compound name

N-benzyl-3-methoxy-3,3-diphenylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 19
Patents: 331.1936 Da
Monoisotopic Mass: 4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	332.200876	181.5
[M+Na]+	354.182818	184.9
[M-H]-	330.186324	189.8
[M+NH4]+	349.227423	193.9
[M+K]+	370.156758	179.2
[M+H-H2O]+	314.190860	171.6
[M+HCOO]-	376.191801	203.6
[M+CH3COO]-	390.207451	212.2
[M+Na-2H]-	352.168266	188.3
[M]+	331.19305142	181.0
[M]-	331.19414858	181.0

Literature stripe

literature stripe

Patent stripe

patents stripe