CID 685632

83095-06-1

Structural Information

Molecular Formula

C₁₄H₁₆N₂O₂

SMILES

C1CC(=O)N(C1=O)CN2CCC3=CC=CC=C3C2

InChI

InChI=1S/C14H16N2O2/c17-13-5-6-14(18)16(13)10-15-8-7-11-3-1-2-4-12(11)9-15/h1-4H,5-10H2

InChIKey

FTMAYTLLZJHDEK-UHFFFAOYSA-N

Compound name

1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)pyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 244.12119 Da
Monoisotopic Mass: 0.8
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]+	245.128466	155.8
[M+Na]+	267.110408	162.8
[M-H]-	243.113914	160.1
[M+NH4]+	262.155013	173.1
[M+K]+	283.084348	158.7
[M+H-H2O]+	227.118450	147.3
[M+HCOO]-	289.119391	173.1
[M+CH3COO]-	303.135041	167.1
[M+Na-2H]-	265.095856	157.9
[M]+	244.12064142	152.3
[M]-	244.12173858	152.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe