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]+ 348.12303 181.8
[M+Na]+ 370.10497 191.1
[M-H]- 346.10847 188.5
[M+NH4]+ 365.14957 195.8
[M+K]+ 386.07891 186.3
[M+H-H2O]+ 330.11301 171.7
[M+HCOO]- 392.11395 199.7
[M+CH3COO]- 406.12960 192.6
[M+Na-2H]- 368.09042 186.3
[M]+ 347.11520 186.4
[M]- 347.11630 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.