CID 4435488

N-trityldiethanolamine

Structural Information

Molecular Formula

C₂₃H₂₅NO₂

SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N(CCO)CCO

InChI

InChI=1S/C23H25NO2/c25-18-16-24(17-19-26)23(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,25-26H,16-19H2

InChIKey

YJLPWJRMZCVURD-UHFFFAOYSA-N

Compound name

2-[2-hydroxyethyl(trityl)amino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 347.18854 Da
Monoisotopic Mass: 3.6
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]+	348.19582	188.0
[M+Na]+	370.17776	201.5
[M+NH4]+	365.22236	195.9
[M+K]+	386.15170	192.9
[M-H]-	346.18126	194.5
[M+Na-2H]-	368.16321	199.1
[M]+	347.18799	191.9
[M]-	347.18909	191.9

Literature stripe

literature stripe

Patent stripe

patents stripe