CID 3461945

13450-05-0

Structural Information

Molecular Formula

C₁₆H₁₄N₂O₂

SMILES

C1CN2C(=O)C3=CC=CC=C3C2(N1)C4=CC=C(C=C4)O

InChI

InChI=1S/C16H14N2O2/c19-12-7-5-11(6-8-12)16-14-4-2-1-3-13(14)15(20)18(16)10-9-17-16/h1-8,17,19H,9-10H2

InChIKey

ZSGOJSHPDXCFJZ-UHFFFAOYSA-N

Compound name

9b-(4-hydroxyphenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 266.10553 Da
Monoisotopic Mass: 1.6
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]+	267.112806	160.6
[M+Na]+	289.094748	170.1
[M-H]-	265.098254	164.7
[M+NH4]+	284.139353	180.7
[M+K]+	305.068688	163.7
[M+H-H2O]+	249.102790	153.4
[M+HCOO]-	311.103731	177.7
[M+CH3COO]-	325.119381	172.1
[M+Na-2H]-	287.080196	163.8
[M]+	266.10498142	157.9
[M]-	266.10607858	157.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe