CID 209761

20353-55-3

Structural Information

Molecular Formula
C16H15NO6
SMILES
COC1=C(C=C2C(=C1)CCN3C2=CC(=C3C(=O)O)C(=O)O)OC
InChI
InChI=1S/C16H15NO6/c1-22-12-5-8-3-4-17-11(9(8)7-13(12)23-2)6-10(15(18)19)14(17)16(20)21/h5-7H,3-4H2,1-2H3,(H,18,19)(H,20,21)
InChIKey
NYSKDXCDWULLLH-UHFFFAOYSA-N
Compound name
8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2,3-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.08994 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.09722 169.7
[M+Na]+ 340.07916 180.2
[M+NH4]+ 335.12376 175.2
[M+K]+ 356.05310 178.6
[M-H]- 316.08266 168.7
[M+Na-2H]- 338.06461 170.5
[M]+ 317.08939 170.5
[M]- 317.09049 170.5
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.