CID 75589

2478-20-8

Structural Information

Molecular Formula
C20H16N2O2
SMILES
CC1=CC(=C(C=C1)N2C(=O)C3=C4C(=C(C=C3)N)C=CC=C4C2=O)C
InChI
InChI=1S/C20H16N2O2/c1-11-6-9-17(12(2)10-11)22-19(23)14-5-3-4-13-16(21)8-7-15(18(13)14)20(22)24/h3-10H,21H2,1-2H3
InChIKey
FQLZTPSAVDHUKS-UHFFFAOYSA-N
Compound name
6-amino-2-(2,4-dimethylphenyl)benzo[de]isoquinoline-1,3-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1299
Patents

316.1212 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.128476 176.3
[M+Na]+ 339.110418 186.7
[M-H]- 315.113924 183.1
[M+NH4]+ 334.155023 191.7
[M+K]+ 355.084358 180.4
[M+H-H2O]+ 299.118460 167.0
[M+HCOO]- 361.119401 194.7
[M+CH3COO]- 375.135051 187.5
[M+Na-2H]- 337.095866 180.0
[M]+ 316.12065142 176.8
[M]- 316.12174858 176.8
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