CID 101939224

(s)-norprotosinomenine

Structural Information

Molecular Formula
C18H21NO4
SMILES
COC1=C(C=C(C=C1)C[C@H]2C3=CC(=C(C=C3CCN2)O)OC)O
InChI
InChI=1S/C18H21NO4/c1-22-17-4-3-11(8-15(17)20)7-14-13-10-18(23-2)16(21)9-12(13)5-6-19-14/h3-4,8-10,14,19-21H,5-7H2,1-2H3/t14-/m0/s1
InChIKey
IZAGEUPZVNIFBT-AWEZNQCLSA-N
Compound name
(1S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

315.14706 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.15434 174.1
[M+Na]+ 338.13628 181.0
[M-H]- 314.13978 176.4
[M+NH4]+ 333.18088 186.5
[M+K]+ 354.11022 175.9
[M+H-H2O]+ 298.14432 165.9
[M+HCOO]- 360.14526 188.7
[M+CH3COO]- 374.16091 202.2
[M+Na-2H]- 336.12173 176.4
[M]+ 315.14651 173.1
[M]- 315.14761 173.1
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

No patent data available for this compound.