CID 149310

104500-10-9

Structural Information

Molecular Formula

C₂₃H₂₃NO₂

SMILES

CC(CO)(CO)NCC1=C2C=CC=CC2=CC3=CC4=CC=CC=C4C=C31

InChI

InChI=1S/C23H23NO2/c1-23(14-25,15-26)24-13-22-20-9-5-4-8-18(20)11-19-10-16-6-2-3-7-17(16)12-21(19)22/h2-12,24-26H,13-15H2,1H3

InChIKey

ZUGYBEMATSSUOE-UHFFFAOYSA-N

Compound name

2-methyl-2-(tetracen-5-ylmethylamino)propane-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 11
Patents: 345.17288 Da
Monoisotopic Mass: 3.7
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]+	346.18016	181.8
[M+Na]+	368.16210	189.1
[M-H]-	344.16560	185.2
[M+NH4]+	363.20670	196.5
[M+K]+	384.13604	182.1
[M+H-H2O]+	328.17014	173.9
[M+HCOO]-	390.17108	198.8
[M+CH3COO]-	404.18673	191.3
[M+Na-2H]-	366.14755	191.2
[M]+	345.17233	183.2
[M]-	345.17343	183.2

Literature stripe

literature stripe

Patent stripe

patents stripe