PubChemLite - Koumine (C20H22N2O)

Structural Information

Molecular Formula

SMILES

CN1CC2(C3CC4C5=NC6=CC=CC=C6C52CC1C3CO4)C=C

InChI

InChI=1S/C20H22N2O/c1-3-19-11-22(2)16-9-20(19)13-6-4-5-7-15(13)21-18(20)17-8-14(19)12(16)10-23-17/h3-7,12,14,16-17H,1,8-11H2,2H3

InChIKey

VTLYEMHGPMGUOT-UHFFFAOYSA-N

Compound name

15-ethenyl-13-methyl-19-oxa-3,13-diazahexacyclo[14.3.1.02,10.04,9.010,15.012,17]icosa-2,4,6,8-tetraene

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]+	307.18050	176.9
[M+Na]+	329.16244	189.5
[M+NH4]+	324.20704	191.4
[M+K]+	345.13638	178.1
[M-H]-	305.16594	178.6
[M+Na-2H]-	327.14789	174.7
[M]+	306.17267	179.7
[M]-	306.17377	179.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

307.18050

176.9

[M+Na]+

329.16244

189.5

[M+NH4]+

324.20704

191.4

[M+K]+

345.13638

178.1

[M-H]-

305.16594

178.6

[M+Na-2H]-

327.14789

174.7

[M]+

306.17267

179.7

[M]-

306.17377

179.7

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

Koumine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe