CID 202910

Benzhydrol, alpha-(1-methyl-2-propylaminoethyl)-, maleate

Structural Information

Molecular Formula

C₁₉H₂₅NO

SMILES

CCCNCC(C)C(C1=CC=CC=C1)(C2=CC=CC=C2)O

InChI

InChI=1S/C19H25NO/c1-3-14-20-15-16(2)19(21,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,16,20-21H,3,14-15H2,1-2H3

InChIKey

IDZJYQKAEXKAIC-UHFFFAOYSA-N

Compound name

2-methyl-1,1-diphenyl-3-(propylamino)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 283.1936 Da
Monoisotopic Mass: 3.8
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]+	284.200876	170.2
[M+Na]+	306.182818	173.4
[M-H]-	282.186324	174.4
[M+NH4]+	301.227423	184.5
[M+K]+	322.156758	168.8
[M+H-H2O]+	266.190860	162.4
[M+HCOO]-	328.191801	190.0
[M+CH3COO]-	342.207451	202.6
[M+Na-2H]-	304.168266	175.0
[M]+	283.19305142	168.7
[M]-	283.19414858	168.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe