CID 149655

133550-81-9

Structural Information

Molecular Formula

C₁₇H₂₁NO₂

SMILES

CC(CO)(CO)NCC1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C17H21NO2/c1-17(12-19,13-20)18-11-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-10,18-20H,11-13H2,1H3

InChIKey

BOKFIHJMYFSDEL-UHFFFAOYSA-N

Compound name

2-methyl-2-[(4-phenylphenyl)methylamino]propane-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 2
Patents: 271.15723 Da
Monoisotopic Mass: 1.8
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]+	272.164506	164.3
[M+Na]+	294.146448	169.0
[M-H]-	270.149954	167.8
[M+NH4]+	289.191053	178.6
[M+K]+	310.120388	164.2
[M+H-H2O]+	254.154490	157.0
[M+HCOO]-	316.155431	184.5
[M+CH3COO]-	330.171081	196.5
[M+Na-2H]-	292.131896	170.3
[M]+	271.15668142	162.7
[M]-	271.15777858	162.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe