CID 3142998

150705-10-5

Structural Information

Molecular Formula
C18H17NO4
SMILES
CCOC(=O)CCCN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O
InChI
InChI=1S/C18H17NO4/c1-2-23-15(20)10-5-11-19-17(21)13-8-3-6-12-7-4-9-14(16(12)13)18(19)22/h3-4,6-9H,2,5,10-11H2,1H3
InChIKey
GPSQYFSWXQQJIQ-UHFFFAOYSA-N
Compound name
ethyl 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

311.11575 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.12303 170.8
[M+Na]+ 334.10497 184.2
[M+NH4]+ 329.14957 178.0
[M+K]+ 350.07891 176.9
[M-H]- 310.10847 171.9
[M+Na-2H]- 332.09042 174.1
[M]+ 311.11520 172.9
[M]- 311.11630 172.9
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

No patent data available for this compound.