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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.08118 151.8
[M+Na]+ 264.06312 161.3
[M-H]- 240.06662 155.8
[M+NH4]+ 259.10772 175.9
[M+K]+ 280.03706 156.0
[M+H-H2O]+ 224.07116 146.5
[M+HCOO]- 286.07210 168.4
[M+CH3COO]- 300.08775 164.3
[M+Na-2H]- 262.04857 154.8
[M]+ 241.07335 150.2
[M]- 241.07445 150.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.