CID 89660

Einecs 244-916-0

Structural Information

Molecular Formula
C17H17NO4
SMILES
CCOC1=C2C(=CC=C3C2=C(C=C1)C(=O)N(C3=O)C)OCC
InChI
InChI=1S/C17H17NO4/c1-4-21-12-8-6-10-14-11(17(20)18(3)16(10)19)7-9-13(15(12)14)22-5-2/h6-9H,4-5H2,1-3H3
InChIKey
RTCBXWGDLADPJL-UHFFFAOYSA-N
Compound name
6,7-diethoxy-2-methylbenzo[de]isoquinoline-1,3-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

34
Patents

299.11575 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.123026 167.8
[M+Na]+ 322.104968 177.9
[M-H]- 298.108474 171.6
[M+NH4]+ 317.149573 184.7
[M+K]+ 338.078908 174.4
[M+H-H2O]+ 282.113010 159.9
[M+HCOO]- 344.113951 186.0
[M+CH3COO]- 358.129601 209.0
[M+Na-2H]- 320.090416 172.4
[M]+ 299.11520142 174.1
[M]- 299.11629858 174.1
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