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]+ 317.09206 172.1
[M+Na]+ 339.07400 180.8
[M-H]- 315.07750 178.3
[M+NH4]+ 334.11860 186.5
[M+K]+ 355.04794 175.3
[M+H-H2O]+ 299.08204 162.7
[M+HCOO]- 361.08298 190.3
[M+CH3COO]- 375.09863 182.8
[M+Na-2H]- 337.05945 177.0
[M]+ 316.08423 171.6
[M]- 316.08533 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.