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 168.3
[M+Na]+ 340.07916 176.9
[M-H]- 316.08266 170.5
[M+NH4]+ 335.12376 184.1
[M+K]+ 356.05310 174.2
[M+H-H2O]+ 300.08720 162.3
[M+HCOO]- 362.08814 184.4
[M+CH3COO]- 376.10379 204.7
[M+Na-2H]- 338.06461 169.5
[M]+ 317.08939 172.4
[M]- 317.09049 172.4
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.