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
2
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]+ 300.12303 167.8
[M+Na]+ 322.10497 177.9
[M-H]- 298.10847 171.6
[M+NH4]+ 317.14957 184.7
[M+K]+ 338.07891 174.4
[M+H-H2O]+ 282.11301 159.9
[M+HCOO]- 344.11395 186.0
[M+CH3COO]- 358.12960 209.0
[M+Na-2H]- 320.09042 172.4
[M]+ 299.11520 174.1
[M]- 299.11630 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