PubChemLite - Senkirkine (C19H27NO6)

Structural Information

Molecular Formula

SMILES

C/C=C\1/C[C@H]([C@@](C(=O)OC/C/2=C/CN(CC[C@H](C2=O)OC1=O)C)(C)O)C

InChI

InChI=1S/C19H27NO6/c1-5-13-10-12(2)19(3,24)18(23)25-11-14-6-8-20(4)9-7-15(16(14)21)26-17(13)22/h5-6,12,15,24H,7-11H2,1-4H3/b13-5-,14-6-/t12-,15-,19-/m1/s1

InChIKey

HPDHKHMHQGCNPE-QLJRNOHWSA-N

Compound name

(1R,4Z,6R,7R,11Z)-4-ethylidene-7-hydroxy-6,7,14-trimethyl-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-3,8,17-trione

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]+	366.19112	181.9
[M+Na]+	388.17306	184.6
[M+NH4]+	383.21766	183.2
[M+K]+	404.14700	182.6
[M-H]-	364.17656	182.1
[M+Na-2H]-	386.15851	181.1
[M]+	365.18329	182.1
[M]-	365.18439	182.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

366.19112

181.9

[M+Na]+

388.17306

184.6

[M+NH4]+

383.21766

183.2

[M+K]+

404.14700

182.6

[M-H]-

364.17656

182.1

[M+Na-2H]-

386.15851

181.1

[M]+

365.18329

182.1

[M]-

365.18439

182.1

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

Senkirkine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe