CID 203926

M&b 7448

Structural Information

Molecular Formula

C₂₂H₂₄N₂O₅

SMILES

CC(=O)OCC1=C(C=CC(=C1)N)OCCCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C22H24N2O5/c1-15(25)29-14-16-13-17(23)9-10-20(16)28-12-6-2-5-11-24-21(26)18-7-3-4-8-19(18)22(24)27/h3-4,7-10,13H,2,5-6,11-12,14,23H2,1H3

InChIKey

CTUAQUQERXPQFL-UHFFFAOYSA-N

Compound name

[5-amino-2-[5-(1,3-dioxoisoindol-2-yl)pentoxy]phenyl]methyl acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 396.16852 Da
Monoisotopic Mass: 2.6
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]+	397.175796	194.8
[M+Na]+	419.157738	201.4
[M-H]-	395.161244	200.5
[M+NH4]+	414.202343	206.9
[M+K]+	435.131678	197.1
[M+H-H2O]+	379.165780	185.8
[M+HCOO]-	441.166721	215.0
[M+CH3COO]-	455.182371	225.2
[M+Na-2H]-	417.143186	193.4
[M]+	396.16797142	199.8
[M]-	396.16906858	199.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.