CID 2787079

202805-07-0

Structural Information

Molecular Formula
C18H17NO4
SMILES
C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCCCC(=O)O
InChI
InChI=1S/C18H17NO4/c20-15(21)10-2-1-3-11-19-17(22)13-8-4-6-12-7-5-9-14(16(12)13)18(19)23/h4-9H,1-3,10-11H2,(H,20,21)
InChIKey
ZILJZINSEYHWLP-UHFFFAOYSA-N
Compound name
6-(1,3-dioxobenzo[de]isoquinolin-2-yl)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
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 171.1
[M+Na]+ 334.10497 183.9
[M+NH4]+ 329.14957 177.9
[M+K]+ 350.07891 176.9
[M-H]- 310.10847 171.6
[M+Na-2H]- 332.09042 173.8
[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

No literature data available for this compound.

Patent stripe

patents stripe