CID 48120

66827-82-5

Structural Information

Molecular Formula

C₂₂H₂₇NO₂

SMILES

CCN(CC)CCOC(=O)C1(C2=CC=CC=C2CC3=CC=CC=C31)C

InChI

InChI=1S/C22H27NO2/c1-4-23(5-2)14-15-25-21(24)22(3)19-12-8-6-10-17(19)16-18-11-7-9-13-20(18)22/h6-13H,4-5,14-16H2,1-3H3

InChIKey

OZANRYINUMABLL-UHFFFAOYSA-N

Compound name

2-(diethylamino)ethyl 9-methyl-10H-anthracene-9-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 337.2042 Da
Monoisotopic Mass: 4.5
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]+	338.211476	183.9
[M+Na]+	360.193418	189.3
[M-H]-	336.196924	189.4
[M+NH4]+	355.238023	201.7
[M+K]+	376.167358	185.6
[M+H-H2O]+	320.201460	175.4
[M+HCOO]-	382.202401	203.1
[M+CH3COO]-	396.218051	219.2
[M+Na-2H]-	358.178866	188.3
[M]+	337.20365142	187.1
[M]-	337.20474858	187.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.