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 177.8
[M+Na]+ 364.12676 183.3
[M-H]- 340.13026 180.7
[M+NH4]+ 359.17136 191.0
[M+K]+ 380.10070 175.4
[M+H-H2O]+ 324.13480 173.9
[M+HCOO]- 386.13574 196.2
[M+CH3COO]- 400.15139 213.5
[M+Na-2H]- 362.11221 183.7
[M]+ 341.13699 178.4
[M]- 341.13809 178.4
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.