PubChemLite - Broussoflavonol d (C30H32O7)

Structural Information

Molecular Formula

SMILES

CC(=CCC1=C2C=CC(OC2=C(C=C1C3=C(C(=O)C4=C(O3)C(=C(C=C4O)O)C(C)(C)C=C)O)O)(C)C)C

InChI

InChI=1S/C30H32O7/c1-8-29(4,5)23-20(32)14-19(31)22-24(34)25(35)27(36-28(22)23)18-13-21(33)26-17(11-12-30(6,7)37-26)16(18)10-9-15(2)3/h8-9,11-14,31-33,35H,1,10H2,2-7H3

InChIKey

FAVGADQXPDBFQP-UHFFFAOYSA-N

Compound name

3,5,7-trihydroxy-2-[8-hydroxy-2,2-dimethyl-5-(3-methylbut-2-enyl)chromen-6-yl]-8-(2-methylbut-3-en-2-yl)chromen-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]+	505.22208	226.1
[M+Na]+	527.20402	234.9
[M-H]-	503.20752	231.6
[M+NH4]+	522.24862	232.3
[M+K]+	543.17796	232.3
[M+H-H2O]+	487.21206	217.9
[M+HCOO]-	549.21300	233.3
[M+CH3COO]-	563.22865	244.4
[M+Na-2H]-	525.18947	225.6
[M]+	504.21425	232.0
[M]-	504.21535	232.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

505.22208

226.1

[M+Na]+

527.20402

234.9

[M-H]-

503.20752

231.6

[M+NH4]+

522.24862

232.3

[M+K]+

543.17796

232.3

[M+H-H2O]+

487.21206

217.9

[M+HCOO]-

549.21300

233.3

[M+CH3COO]-

563.22865

244.4

[M+Na-2H]-

525.18947

225.6

[M]+

504.21425

232.0

[M]-

504.21535

232.0

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

Broussoflavonol d

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe