CID 2357153

519152-23-9

Structural Information

Molecular Formula
C19H12N2O3
SMILES
C1=CC=C(C=C1)C(=O)C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)N
InChI
InChI=1S/C19H12N2O3/c20-21-18(23)14-8-4-7-12-13(9-10-15(16(12)14)19(21)24)17(22)11-5-2-1-3-6-11/h1-10H,20H2
InChIKey
NTOLCGHJCPJVHY-UHFFFAOYSA-N
Compound name
2-amino-6-benzoylbenzo[de]isoquinoline-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.08478 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.092056 172.1
[M+Na]+ 339.073998 180.8
[M-H]- 315.077504 178.3
[M+NH4]+ 334.118603 186.5
[M+K]+ 355.047938 175.3
[M+H-H2O]+ 299.082040 162.7
[M+HCOO]- 361.082981 190.3
[M+CH3COO]- 375.098631 182.8
[M+Na-2H]- 337.059446 177.0
[M]+ 316.08423142 171.6
[M]- 316.08532858 171.6
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.