CID 175235

Einecs 276-971-1

Structural Information

Molecular Formula
C23H21NO4
SMILES
CCOC1=C2C(=CC=C3C2=C(C=C1)C(=O)N(C3=O)CC4=CC=CC=C4)OCC
InChI
InChI=1S/C23H21NO4/c1-3-27-18-12-10-16-20-17(11-13-19(21(18)20)28-4-2)23(26)24(22(16)25)14-15-8-6-5-7-9-15/h5-13H,3-4,14H2,1-2H3
InChIKey
FJHLVFINFGYXGU-UHFFFAOYSA-N
Compound name
2-benzyl-6,7-diethoxybenzo[de]isoquinoline-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

375.14706 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.15434 191.1
[M+Na]+ 398.13628 199.4
[M-H]- 374.13978 197.3
[M+NH4]+ 393.18088 203.9
[M+K]+ 414.11022 194.1
[M+H-H2O]+ 358.14432 180.4
[M+HCOO]- 420.14526 208.2
[M+CH3COO]- 434.16091 222.8
[M+Na-2H]- 396.12173 194.4
[M]+ 375.14651 196.3
[M]- 375.14761 196.3
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

patents stripe