CID 3515568

1h-dibenzo[de,h]quinoline-2,7-dione

Structural Information

Molecular Formula
C16H9NO2
SMILES
C1=CC=C2C(=C1)C3=C4C(=CC(=O)N3)C=CC=C4C2=O
InChI
InChI=1S/C16H9NO2/c18-13-8-9-4-3-7-12-14(9)15(17-13)10-5-1-2-6-11(10)16(12)19/h1-8H,(H,17,18)
InChIKey
NHOYROCTVIDOJP-UHFFFAOYSA-N
Compound name
16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

247.06332 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.070596 151.5
[M+Na]+ 270.052538 162.4
[M-H]- 246.056044 155.1
[M+NH4]+ 265.097143 170.2
[M+K]+ 286.026478 155.9
[M+H-H2O]+ 230.060580 143.6
[M+HCOO]- 292.061521 169.4
[M+CH3COO]- 306.077171 163.9
[M+Na-2H]- 268.037986 161.4
[M]+ 247.06277142 152.0
[M]- 247.06386858 152.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe