6-oxovincaminol (C20H24N2O3)

Structural Information

Molecular Formula

SMILES

CC[C@@]12CCCN3[C@@H]1C4=C(C(=O)C3)C5=CC=CC=C5N4[C@](C2)(CO)O

InChI

InChI=1S/C20H24N2O3/c1-2-19-8-5-9-21-10-15(24)16-13-6-3-4-7-14(13)22(17(16)18(19)21)20(25,11-19)12-23/h3-4,6-7,18,23,25H,2,5,8-12H2,1H3/t18-,19+,20+/m1/s1

InChIKey

COGMACGTCIDTOI-AABGKKOBSA-N

Compound name

(15S,17S,19S)-15-ethyl-17-hydroxy-17-(hydroxymethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-9-one

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	341.185956	181.5
[M+Na]+	363.167898	189.7
[M-H]-	339.171404	181.4
[M+NH4]+	358.212503	201.1
[M+K]+	379.141838	182.9
[M+H-H2O]+	323.175940	172.3
[M+HCOO]-	385.176881	189.5
[M+CH3COO]-	399.192531	189.9
[M+Na-2H]-	361.153346	186.0
[M]+	340.17813142	180.9
[M]-	340.17922858	180.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

341.185956

181.5

[M+Na]+

363.167898

189.7

[M-H]-

339.171404

181.4

[M+NH4]+

358.212503

201.1

[M+K]+

379.141838

182.9

[M+H-H2O]+

323.175940

172.3

[M+HCOO]-

385.176881

189.5

[M+CH3COO]-

399.192531

189.9

[M+Na-2H]-

361.153346

186.0

[M]+

340.17813142

180.9

[M]-

340.17922858

180.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

6-oxovincaminol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe