CID 103246

Einecs 265-496-5

Structural Information

Molecular Formula
C21H17NO4
SMILES
COC1=C2C(=CC=C3C2=C(C=C1)C(=O)N(C3=O)CC4=CC=CC=C4)OC
InChI
InChI=1S/C21H17NO4/c1-25-16-10-8-14-18-15(9-11-17(26-2)19(16)18)21(24)22(20(14)23)12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3
InChIKey
BPJDZBGBYIKLFK-UHFFFAOYSA-N
Compound name
2-benzyl-6,7-dimethoxybenzo[de]isoquinoline-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

347.11575 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.123026 181.8
[M+Na]+ 370.104968 191.1
[M-H]- 346.108474 188.5
[M+NH4]+ 365.149573 195.8
[M+K]+ 386.078908 186.3
[M+H-H2O]+ 330.113010 171.7
[M+HCOO]- 392.113951 199.7
[M+CH3COO]- 406.129601 192.6
[M+Na-2H]- 368.090416 186.3
[M]+ 347.11520142 186.4
[M]- 347.11629858 186.4
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.