CID 137553771

(s)-norcodamine

Structural Information

Molecular Formula
C19H23NO4
SMILES
COC1=C(C=C(C=C1)C[C@H]2C3=CC(=C(C=C3CCN2)OC)O)OC
InChI
InChI=1S/C19H23NO4/c1-22-17-5-4-12(9-19(17)24-3)8-15-14-11-16(21)18(23-2)10-13(14)6-7-20-15/h4-5,9-11,15,20-21H,6-8H2,1-3H3/t15-/m0/s1
InChIKey
YUUVQMNYXHZRSK-HNNXBMFYSA-N
Compound name
(1S)-1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.16272 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.17000 178.4
[M+Na]+ 352.15194 185.3
[M-H]- 328.15544 181.8
[M+NH4]+ 347.19654 190.9
[M+K]+ 368.12588 180.8
[M+H-H2O]+ 312.15998 169.6
[M+HCOO]- 374.16092 194.2
[M+CH3COO]- 388.17657 207.4
[M+Na-2H]- 350.13739 180.6
[M]+ 329.16217 179.5
[M]- 329.16327 179.5
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.