CID 6452174

Einecs 256-502-7

Structural Information

Molecular Formula
C16H15NO4
SMILES
CCOC1=CC=C2C3=C(C=CC(=C13)OC)C(=O)N(C2=O)C
InChI
InChI=1S/C16H15NO4/c1-4-21-12-8-6-10-13-9(15(18)17(2)16(10)19)5-7-11(20-3)14(12)13/h5-8H,4H2,1-3H3
InChIKey
HJFUELYSJZDVSR-UHFFFAOYSA-N
Compound name
6-ethoxy-7-methoxy-2-methylbenzo[de]isoquinoline-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

285.1001 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.107376 163.1
[M+Na]+ 308.089318 173.6
[M-H]- 284.092824 167.1
[M+NH4]+ 303.133923 180.6
[M+K]+ 324.063258 170.3
[M+H-H2O]+ 268.097360 155.4
[M+HCOO]- 330.098301 181.6
[M+CH3COO]- 344.113951 206.0
[M+Na-2H]- 306.074766 168.2
[M]+ 285.09955142 169.1
[M]- 285.10064858 169.1
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

No patent data available for this compound.