PubChemLite - Euchrenone a17 (C25H28O4)

Structural Information

Molecular Formula

SMILES

CC(=CCC1=C(C=CC2=C1O[C@@H](CC2=O)C3=CC4=C(C=C3)OC(CC4)(C)C)O)C

InChI

InChI=1S/C25H28O4/c1-15(2)5-7-18-20(26)9-8-19-21(27)14-23(28-24(18)19)16-6-10-22-17(13-16)11-12-25(3,4)29-22/h5-6,8-10,13,23,26H,7,11-12,14H2,1-4H3/t23-/m0/s1

InChIKey

MYPVPAHTULTGQA-QHCPKHFHSA-N

Compound name

(2S)-2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-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]+	393.20604	197.3
[M+Na]+	415.18798	204.0
[M-H]-	391.19148	205.0
[M+NH4]+	410.23258	209.4
[M+K]+	431.16192	200.9
[M+H-H2O]+	375.19602	188.4
[M+HCOO]-	437.19696	207.9
[M+CH3COO]-	451.21261	224.0
[M+Na-2H]-	413.17343	198.2
[M]+	392.19821	197.4
[M]-	392.19931	197.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

393.20604

197.3

[M+Na]+

415.18798

204.0

[M-H]-

391.19148

205.0

[M+NH4]+

410.23258

209.4

[M+K]+

431.16192

200.9

[M+H-H2O]+

375.19602

188.4

[M+HCOO]-

437.19696

207.9

[M+CH3COO]-

451.21261

224.0

[M+Na-2H]-

413.17343

198.2

[M]+

392.19821

197.4

[M]-

392.19931

197.4

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

Euchrenone a17

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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