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
1
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]+ 286.10738 163.1
[M+Na]+ 308.08932 173.6
[M-H]- 284.09282 167.1
[M+NH4]+ 303.13392 180.6
[M+K]+ 324.06326 170.3
[M+H-H2O]+ 268.09736 155.4
[M+HCOO]- 330.09830 181.6
[M+CH3COO]- 344.11395 206.0
[M+Na-2H]- 306.07477 168.2
[M]+ 285.09955 169.1
[M]- 285.10065 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.