CID 22217441

Ns00044406

Structural Information

Molecular Formula
C14H11NO3
SMILES
C1CC2=C3C(=C1)C=CC(=O)C34C(C2)C(=O)NC4=O
InChI
InChI=1S/C14H11NO3/c16-10-5-4-7-2-1-3-8-6-9-12(17)15-13(18)14(9,10)11(7)8/h2,4-5,9H,1,3,6H2,(H,15,17,18)
InChIKey
GUVSNZPBPIOFSA-UHFFFAOYSA-N
Compound name
13-azatetracyclo[7.5.1.01,11.05,15]pentadeca-3,5,9(15)-triene-2,12,14-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.0739 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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.