PubChemLite - Piericidin b (C26H39NO4)

Structural Information

Molecular Formula

SMILES

C/C=C(\C)/[C@@H]([C@H](C)/C=C(\C)/C=C/C/C(=C/CC1=C(C(=O)C(=C(N1)OC)OC)C)/C)OC

InChI

InChI=1S/C26H39NO4/c1-10-19(4)24(29-7)20(5)16-18(3)13-11-12-17(2)14-15-22-21(6)23(28)25(30-8)26(27-22)31-9/h10-11,13-14,16,20,24H,12,15H2,1-9H3,(H,27,28)/b13-11+,17-14+,18-16+,19-10+/t20-,24+/m1/s1

InChIKey

PTKGTYKMTXCJOK-DDSKRPRESA-N

Compound name

2,3-dimethoxy-6-[(2E,5E,7E,9R,10R,11E)-10-methoxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraenyl]-5-methyl-1H-pyridin-4-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]+	430.29518	209.4
[M+Na]+	452.27712	217.2
[M+NH4]+	447.32172	211.2
[M+K]+	468.25106	212.4
[M-H]-	428.28062	206.6
[M+Na-2H]-	450.26257	207.8
[M]+	429.28735	209.2
[M]-	429.28845	209.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

430.29518

209.4

[M+Na]+

452.27712

217.2

[M+NH4]+

447.32172

211.2

[M+K]+

468.25106

212.4

[M-H]-

428.28062

206.6

[M+Na-2H]-

450.26257

207.8

[M]+

429.28735

209.2

[M]-

429.28845

209.2

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

Piericidin b

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe