CID 78358513

Vincoline

Structural Information

Molecular Formula
C21H24N2O4
SMILES
C[C@H]1C23C[C@](O1)([C@]4([C@@]5([C@H]2N(CC5)CC=C3)C6=CC=CC=C6N4)O)C(=O)OC
InChI
InChI=1S/C21H24N2O4/c1-13-18-8-5-10-23-11-9-19(16(18)23)14-6-3-4-7-15(14)22-21(19,25)20(12-18,27-13)17(24)26-2/h3-8,13,16,22,25H,9-12H2,1-2H3/t13-,16-,18?,19+,20+,21-/m0/s1
InChIKey
YOQNZWXFGROKGY-FOSYVSQFSA-N
Compound name
methyl (1R,9S,10S,12S,20S)-9-hydroxy-12-methyl-11-oxa-8,17-diazahexacyclo[11.6.1.110,13.01,9.02,7.017,20]henicosa-2,4,6,14-tetraene-10-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.1736 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.18088 183.9
[M+Na]+ 391.16282 191.4
[M+NH4]+ 386.20742 197.4
[M+K]+ 407.13676 184.7
[M-H]- 367.16632 184.5
[M+Na-2H]- 389.14827 185.3
[M]+ 368.17305 185.5
[M]- 368.17415 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.