CID 12969147

3-[(diphenylmethyl)amino]propan-1-ol

Structural Information

Molecular Formula

C₁₆H₁₉NO

SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)NCCCO

InChI

InChI=1S/C16H19NO/c18-13-7-12-17-16(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16-18H,7,12-13H2

InChIKey

ABWLGEWGKOXLRO-UHFFFAOYSA-N

Compound name

3-(benzhydrylamino)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 241.14667 Da
Monoisotopic Mass: 2.7
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]+	242.153946	156.5
[M+Na]+	264.135888	160.6
[M-H]-	240.139394	161.0
[M+NH4]+	259.180493	172.4
[M+K]+	280.109828	156.2
[M+H-H2O]+	224.143930	148.7
[M+HCOO]-	286.144871	179.0
[M+CH3COO]-	300.160521	193.2
[M+Na-2H]-	262.121336	162.2
[M]+	241.14612142	154.5
[M]-	241.14721858	154.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe