CID 149676

133550-86-4

Structural Information

Molecular Formula

C₂₁H₂₁NO₂

SMILES

CC(CO)(CO)NCC1=CC2=C3C(=C1)C=CC=C3C4=CC=CC=C42

InChI

InChI=1S/C21H21NO2/c1-21(12-23,13-24)22-11-14-9-15-5-4-8-18-16-6-2-3-7-17(16)19(10-14)20(15)18/h2-10,22-24H,11-13H2,1H3

InChIKey

NYTWHZNFWPEHKN-UHFFFAOYSA-N

Compound name

2-(fluoranthen-2-ylmethylamino)-2-methylpropane-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 319.15723 Da
Monoisotopic Mass: 2.8
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]+	320.164506	176.1
[M+Na]+	342.146448	183.3
[M-H]-	318.149954	179.1
[M+NH4]+	337.191053	194.2
[M+K]+	358.120388	176.8
[M+H-H2O]+	302.154490	169.9
[M+HCOO]-	364.155431	193.4
[M+CH3COO]-	378.171081	186.3
[M+Na-2H]-	340.131896	183.4
[M]+	319.15668142	178.3
[M]-	319.15777858	178.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe