CID 57506202

(-)-(r)-19-hydroxytabersonine

Structural Information

Molecular Formula
C21H24N2O3
SMILES
C[C@H]([C@]12CC(=C3[C@@]4([C@H]1N(CC4)CC=C2)C5=CC=CC=C5N3)C(=O)OC)O
InChI
InChI=1S/C21H24N2O3/c1-13(24)20-8-5-10-23-11-9-21(19(20)23)15-6-3-4-7-16(15)22-17(21)14(12-20)18(25)26-2/h3-8,13,19,22,24H,9-12H2,1-2H3/t13-,19+,20+,21+/m1/s1
InChIKey
XDGRXQNYJMQLPU-VLCNGCBASA-N
Compound name
methyl (1R,12S,19R)-12-[(1R)-1-hydroxyethyl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9,13-pentaene-10-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.17868 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.18596 184.1
[M+Na]+ 375.16790 193.3
[M+NH4]+ 370.21250 194.8
[M+K]+ 391.14184 187.3
[M-H]- 351.17140 184.4
[M+Na-2H]- 373.15335 186.0
[M]+ 352.17813 185.5
[M]- 352.17923 185.5
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.