CID 90658441

6-[hydroxy-[(5r)-4-methoxy-6-methyl-7,8-dihydro-5h-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl]-2,3-dimethoxybenzaldehyde

Structural Information

Molecular Formula
C22H25NO7
SMILES
CN1CCC2=CC3=C(C(=C2[C@@H]1C(C4=C(C(=C(C=C4)OC)OC)C=O)O)OC)OCO3
InChI
InChI=1S/C22H25NO7/c1-23-8-7-12-9-16-21(30-11-29-16)22(28-4)17(12)18(23)19(25)13-5-6-15(26-2)20(27-3)14(13)10-24/h5-6,9-10,18-19,25H,7-8,11H2,1-4H3/t18-,19?/m1/s1
InChIKey
JKLOZTFGRPYWHQ-MRTLOADZSA-N
Compound name
6-[hydroxy-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl]-2,3-dimethoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

415.16312 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.17040 197.7
[M+Na]+ 438.15234 209.9
[M+NH4]+ 433.19694 203.2
[M+K]+ 454.12628 207.3
[M-H]- 414.15584 202.3
[M+Na-2H]- 436.13779 198.2
[M]+ 415.16257 200.6
[M]- 415.16367 200.6
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.