CID 175234

72894-21-4

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 185.2
[M+Na]+ 384.12062 201.8
[M+NH4]+ 379.16522 193.3
[M+K]+ 400.09456 192.7
[M-H]- 360.12412 189.7
[M+Na-2H]- 382.10607 191.6
[M]+ 361.13085 189.1
[M]- 361.13195 189.1
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.