CID 41203

Nsc 362069

Structural Information

Molecular Formula
C18H19N3O4
SMILES
CCN(CC)CCC1=C2C3=C(C=CC(=C3C=C1)[N+](=O)[O-])C(=O)NC2=O
InChI
InChI=1S/C18H19N3O4/c1-3-20(4-2)10-9-11-5-6-12-14(21(24)25)8-7-13-16(12)15(11)18(23)19-17(13)22/h5-8H,3-4,9-10H2,1-2H3,(H,19,22,23)
InChIKey
SUVKFAFDWXIFIB-UHFFFAOYSA-N
Compound name
4-[2-(diethylamino)ethyl]-7-nitrobenzo[de]isoquinoline-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.13754 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.14482 176.3
[M+Na]+ 364.12676 188.9
[M+NH4]+ 359.17136 183.0
[M+K]+ 380.10070 184.9
[M-H]- 340.13026 179.2
[M+Na-2H]- 362.11221 178.9
[M]+ 341.13699 178.6
[M]- 341.13809 178.6
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.