PubChemLite - 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]+	341.18596	181.5
[M+Na]+	363.16790	189.7
[M-H]-	339.17140	181.4
[M+NH4]+	358.21250	201.1
[M+K]+	379.14184	182.9
[M+H-H2O]+	323.17594	172.3
[M+HCOO]-	385.17688	189.5
[M+CH3COO]-	399.19253	189.9
[M+Na-2H]-	361.15335	186.0
[M]+	340.17813	180.9
[M]-	340.17923	180.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

341.18596

181.5

[M+Na]+

363.16790

189.7

[M-H]-

339.17140

181.4

[M+NH4]+

358.21250

201.1

[M+K]+

379.14184

182.9

[M+H-H2O]+

323.17594

172.3

[M+HCOO]-

385.17688

189.5

[M+CH3COO]-

399.19253

189.9

[M+Na-2H]-

361.15335

186.0

[M]+

340.17813

180.9

[M]-

340.17923

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

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