CID 386722

N-[2,8-naphthalimide

Structural Information

Molecular Formula
C18H9N5O8
SMILES
C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)NC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C18H9N5O8/c24-17-12-3-1-2-9-6-11(22(28)29)7-13(16(9)12)18(25)20(17)19-14-5-4-10(21(26)27)8-15(14)23(30)31/h1-8,19H
InChIKey
SUXVUHFSCDKTPS-UHFFFAOYSA-N
Compound name
2-(2,4-dinitroanilino)-5-nitrobenzo[de]isoquinoline-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.0451 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.05238 190.3
[M+Na]+ 446.03432 191.7
[M-H]- 422.03782 195.7
[M+NH4]+ 441.07892 195.6
[M+K]+ 462.00826 177.0
[M+H-H2O]+ 406.04236 191.7
[M+HCOO]- 468.04330 209.0
[M+CH3COO]- 482.05895 215.2
[M+Na-2H]- 444.01977 202.1
[M]+ 423.04455 185.4
[M]- 423.04565 185.4
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.