CID 202512

10495-37-1

Structural Information

Molecular Formula
C18H12N2O2
SMILES
C1=CC=C(C=C1)N2C(=O)C3=C4C(=C(C=C3)N)C=CC=C4C2=O
InChI
InChI=1S/C18H12N2O2/c19-15-10-9-14-16-12(15)7-4-8-13(16)17(21)20(18(14)22)11-5-2-1-3-6-11/h1-10H,19H2
InChIKey
HRQSPGSEYDLAIM-UHFFFAOYSA-N
Compound name
6-amino-2-phenylbenzo[de]isoquinoline-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

161
Patents

288.08987 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.097146 165.7
[M+Na]+ 311.079088 175.2
[M-H]- 287.082594 172.1
[M+NH4]+ 306.123693 181.7
[M+K]+ 327.053028 169.1
[M+H-H2O]+ 271.087130 156.5
[M+HCOO]- 333.088071 185.0
[M+CH3COO]- 347.103721 177.2
[M+Na-2H]- 309.064536 172.1
[M]+ 288.08932142 164.8
[M]- 288.09041858 164.8
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