CID 205812

1,8a(6h)-acenaphthenedicarboximide, 7,8-dihydro-2-oxo-, cis-(+-)-

Structural Information

Molecular Formula

C₁₄H₁₁NO₃

SMILES

C1CC2=C3C(=CC=C2)C(=O)[C@@H]4C3(C1)C(=O)NC4=O

InChI

InChI=1S/C14H11NO3/c16-11-8-5-1-3-7-4-2-6-14(9(7)8)10(11)12(17)15-13(14)18/h1,3,5,10H,2,4,6H2,(H,15,17,18)/t10-,14?/m0/s1

InChIKey

KWUXACIWMYKRCI-XLLULAGJSA-N

Compound name

(11S)-13-azatetracyclo[7.5.1.01,11.05,15]pentadeca-5(15),6,8-triene-10,12,14-trione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 20
Patents: 241.0739 Da
Monoisotopic Mass: 1.2
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]+	242.081176	151.8
[M+Na]+	264.063118	161.3
[M-H]-	240.066624	155.8
[M+NH4]+	259.107723	175.9
[M+K]+	280.037058	156.0
[M+H-H2O]+	224.071160	146.5
[M+HCOO]-	286.072101	168.4
[M+CH3COO]-	300.087751	164.3
[M+Na-2H]-	262.048566	154.8
[M]+	241.07335142	150.2
[M]-	241.07444858	150.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.