PubChemLite - 21,22-alpha-epoxyvomicine (C22H24N2O5)

Structural Information

Molecular Formula

SMILES

CN1CCC23C4C5C(CC2=O)C6(C1)C(O6)COC5CC(=O)N4C7=C3C=CC=C7O

InChI

InChI=1S/C22H24N2O5/c1-23-6-5-21-11-3-2-4-13(25)19(11)24-17(27)8-14-18(20(21)24)12(7-15(21)26)22(10-23)16(29-22)9-28-14/h2-4,12,14,16,18,20,25H,5-10H2,1H3

InChIKey

LNLMCLDEZUWTRG-UHFFFAOYSA-N

Compound name

16-hydroxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15(20),16,18-triene-13,21-dione

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]+	397.17580	216.3
[M+Na]+	419.15774	214.2
[M-H]-	395.16124	215.2
[M+NH4]+	414.20234	215.3
[M+K]+	435.13168	215.4
[M+H-H2O]+	379.16578	212.3
[M+HCOO]-	441.16672	215.4
[M+CH3COO]-	455.18237	215.5
[M+Na-2H]-	417.14319	215.5
[M]+	396.16797	215.2
[M]-	396.16907	215.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

397.17580

216.3

[M+Na]+

419.15774

214.2

[M-H]-

395.16124

215.2

[M+NH4]+

414.20234

215.3

[M+K]+

435.13168

215.4

[M+H-H2O]+

379.16578

212.3

[M+HCOO]-

441.16672

215.4

[M+CH3COO]-

455.18237

215.5

[M+Na-2H]-

417.14319

215.5

[M]+

396.16797

215.2

[M]-

396.16907

215.2

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

21,22-alpha-epoxyvomicine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe