CID 92025

56148-88-0

Structural Information

Molecular Formula
C22H27NO4
SMILES
CCCCC(CC)CN1C(=O)C2=C3C(=CC=C(C3=C(C=C2)OC)OC)C1=O
InChI
InChI=1S/C22H27NO4/c1-5-7-8-14(6-2)13-23-21(24)15-9-11-17(26-3)20-18(27-4)12-10-16(19(15)20)22(23)25/h9-12,14H,5-8,13H2,1-4H3
InChIKey
ZKUVWSNPGLZZDC-UHFFFAOYSA-N
Compound name
2-(2-ethylhexyl)-6,7-dimethoxybenzo[de]isoquinoline-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

369.194 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.20128 189.6
[M+Na]+ 392.18322 202.8
[M+NH4]+ 387.22782 196.3
[M+K]+ 408.15716 195.0
[M-H]- 368.18672 190.9
[M+Na-2H]- 390.16867 191.5
[M]+ 369.19345 191.8
[M]- 369.19455 191.8
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