CID 603039

1,3-bis(1-naphthalenyloxy)-2-propanol

Structural Information

Molecular Formula

C₂₃H₂₀O₃

SMILES

C1=CC=C2C(=C1)C=CC=C2OCC(COC3=CC=CC4=CC=CC=C43)O

InChI

InChI=1S/C23H20O3/c24-19(15-25-22-13-5-9-17-7-1-3-11-20(17)22)16-26-23-14-6-10-18-8-2-4-12-21(18)23/h1-14,19,24H,15-16H2

InChIKey

PKZXCEVVANTTGF-UHFFFAOYSA-N

Compound name

1,3-dinaphthalen-1-yloxypropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 344.14124 Da
Monoisotopic Mass: 6.2
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]+	345.148516	181.3
[M+Na]+	367.130458	188.1
[M-H]-	343.133964	187.9
[M+NH4]+	362.175063	195.0
[M+K]+	383.104398	182.3
[M+H-H2O]+	327.138500	171.7
[M+HCOO]-	389.139441	201.1
[M+CH3COO]-	403.155091	191.4
[M+Na-2H]-	365.115906	188.3
[M]+	344.14069142	184.3
[M]-	344.14178858	184.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe