CID 3033098

54824-19-0

Structural Information

Molecular Formula
C19H19N3O4
SMILES
C1CCN(CC1)CCN2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-]
InChI
InChI=1S/C19H19N3O4/c23-18-15-6-4-5-13-11-14(22(25)26)12-16(17(13)15)19(24)21(18)10-9-20-7-2-1-3-8-20/h4-6,11-12H,1-3,7-10H2
InChIKey
KAUYAQNLELLGGR-UHFFFAOYSA-N
Compound name
5-nitro-2-(2-piperidin-1-ylethyl)benzo[de]isoquinoline-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

353.13754 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.14482 179.7
[M+Na]+ 376.12676 193.7
[M+NH4]+ 371.17136 187.1
[M+K]+ 392.10070 188.7
[M-H]- 352.13026 184.1
[M+Na-2H]- 374.11221 183.7
[M]+ 353.13699 182.7
[M]- 353.13809 182.7
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

patents stripe