CID 3053660

Fumarate d'((hydroxy-5' indolyl-3') methyl)-1 tetrahydro-1,2,3,4 isoquinoleine diol-6,7

Structural Information

Molecular Formula
C18H18N2O3
SMILES
C1CNC(C2=CC(=C(C=C21)O)O)CC3=CNC4=C3C=C(C=C4)O
InChI
InChI=1S/C18H18N2O3/c21-12-1-2-15-13(7-12)11(9-20-15)5-16-14-8-18(23)17(22)6-10(14)3-4-19-16/h1-2,6-9,16,19-23H,3-5H2
InChIKey
WKIIZNZWOQFDKW-UHFFFAOYSA-N
Compound name
1-[(5-hydroxy-1H-indol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

310.13174 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.13902 173.3
[M+Na]+ 333.12096 186.6
[M+NH4]+ 328.16556 180.3
[M+K]+ 349.09490 182.0
[M-H]- 309.12446 175.2
[M+Na-2H]- 331.10641 177.3
[M]+ 310.13119 175.5
[M]- 310.13229 175.5
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

patents stripe