CID 175234

Einecs 276-970-6

Structural Information

Molecular Formula
C22H19NO4
SMILES
CCOC1=CC=C2C3=C(C=CC(=C13)OC)C(=O)N(C2=O)CC4=CC=CC=C4
InChI
InChI=1S/C22H19NO4/c1-3-27-18-12-10-16-19-15(9-11-17(26-2)20(18)19)21(24)23(22(16)25)13-14-7-5-4-6-8-14/h4-12H,3,13H2,1-2H3
InChIKey
ZAGFAVZXMJYQOE-UHFFFAOYSA-N
Compound name
2-benzyl-6-ethoxy-7-methoxybenzo[de]isoquinoline-1,3-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

361.1314 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.138676 186.4
[M+Na]+ 384.120618 195.2
[M-H]- 360.124124 192.9
[M+NH4]+ 379.165223 199.9
[M+K]+ 400.094558 190.2
[M+H-H2O]+ 344.128660 176.1
[M+HCOO]- 406.129601 204.0
[M+CH3COO]- 420.145251 219.9
[M+Na-2H]- 382.106066 190.4
[M]+ 361.13085142 191.4
[M]- 361.13194858 191.4
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.