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
2
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]+ 362.13868 186.4
[M+Na]+ 384.12062 195.2
[M-H]- 360.12412 192.9
[M+NH4]+ 379.16522 199.9
[M+K]+ 400.09456 190.2
[M+H-H2O]+ 344.12866 176.1
[M+HCOO]- 406.12960 204.0
[M+CH3COO]- 420.14525 219.9
[M+Na-2H]- 382.10607 190.4
[M]+ 361.13085 191.4
[M]- 361.13195 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.