PubChemLite - Xanthoangelol b (C25H28O5)

Structural Information

Molecular Formula

SMILES

CC(=C)C(CC/C(=C/CC1=C(C=CC(=C1O)C(=O)/C=C/C2=CC=C(C=C2)O)O)/C)O

InChI

InChI=1S/C25H28O5/c1-16(2)22(27)13-5-17(3)4-11-20-24(29)15-12-21(25(20)30)23(28)14-8-18-6-9-19(26)10-7-18/h4,6-10,12,14-15,22,26-27,29-30H,1,5,11,13H2,2-3H3/b14-8+,17-4+

InChIKey

NCHZAFAGBAEJJJ-BAYITLGHSA-N

Compound name

(E)-1-[2,4-dihydroxy-3-[(2E)-6-hydroxy-3,7-dimethylocta-2,7-dienyl]phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-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]+	409.20094	201.7
[M+Na]+	431.18288	211.0
[M+NH4]+	426.22748	204.5
[M+K]+	447.15682	206.4
[M-H]-	407.18638	201.2
[M+Na-2H]-	429.16833	203.2
[M]+	408.19311	202.4
[M]-	408.19421	202.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

409.20094

201.7

[M+Na]+

431.18288

211.0

[M+NH4]+

426.22748

204.5

[M+K]+

447.15682

206.4

[M-H]-

407.18638

201.2

[M+Na-2H]-

429.16833

203.2

[M]+

408.19311

202.4

[M]-

408.19421

202.4

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

Xanthoangelol b

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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