CID 48124

66827-84-7

Structural Information

Molecular Formula

C₂₁H₂₃NO₃

SMILES

C1COCCN1CCOC(=O)C2C3=CC=CC=C3CC4=CC=CC=C24

InChI

InChI=1S/C21H23NO3/c23-21(25-14-11-22-9-12-24-13-10-22)20-18-7-3-1-5-16(18)15-17-6-2-4-8-19(17)20/h1-8,20H,9-15H2

InChIKey

BKSRPSWFNHNTSX-UHFFFAOYSA-N

Compound name

2-morpholin-4-ylethyl 9,10-dihydroanthracene-9-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 337.1678 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]+	338.175076	179.5
[M+Na]+	360.157018	183.2
[M-H]-	336.160524	185.2
[M+NH4]+	355.201623	191.2
[M+K]+	376.130958	179.6
[M+H-H2O]+	320.165060	169.0
[M+HCOO]-	382.166001	192.5
[M+CH3COO]-	396.181651	188.1
[M+Na-2H]-	358.142466	183.8
[M]+	337.16725142	176.9
[M]-	337.16834858	176.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe