CID 23829003

159109-11-2

Structural Information

Molecular Formula
C15H14N2O4
SMILES
CCC1=NC2=C(C3=CC(=C(C=C31)OC)OC)C(=O)NC2=O
InChI
InChI=1S/C15H14N2O4/c1-4-9-7-5-10(20-2)11(21-3)6-8(7)12-13(16-9)15(19)17-14(12)18/h5-6H,4H2,1-3H3,(H,17,18,19)
InChIKey
ULVWJFBHQIXEPE-UHFFFAOYSA-N
Compound name
5-ethyl-7,8-dimethoxypyrrolo[3,4-c]isoquinoline-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

101
Patents

286.09537 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.10265 165.2
[M+Na]+ 309.08459 178.3
[M+NH4]+ 304.12919 171.8
[M+K]+ 325.05853 174.2
[M-H]- 285.08809 165.3
[M+Na-2H]- 307.07004 167.5
[M]+ 286.09482 166.9
[M]- 286.09592 166.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe