PubChemLite - Chebi:140110 (C30H34O7)

Structural Information

Molecular Formula

SMILES

CC(=CCC1=C2CCC(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/C30H34O7/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/h8-9,13-14,31-33,35H,1,10-12H2,2-7H3

InChIKey

MROPLXAKUPCFHK-UHFFFAOYSA-N

Compound name

3,5,7-trihydroxy-2-[8-hydroxy-2,2-dimethyl-5-(3-methylbut-2-enyl)-3,4-dihydrochromen-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]+	507.23772	226.2
[M+Na]+	529.21966	234.2
[M-H]-	505.22316	231.3
[M+NH4]+	524.26426	232.3
[M+K]+	545.19360	231.6
[M+H-H2O]+	489.22770	218.4
[M+HCOO]-	551.22864	232.1
[M+CH3COO]-	565.24429	244.8
[M+Na-2H]-	527.20511	225.1
[M]+	506.22989	230.8
[M]-	506.23099	230.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

507.23772

226.2

[M+Na]+

529.21966

234.2

[M-H]-

505.22316

231.3

[M+NH4]+

524.26426

232.3

[M+K]+

545.19360

231.6

[M+H-H2O]+

489.22770

218.4

[M+HCOO]-

551.22864

232.1

[M+CH3COO]-

565.24429

244.8

[M+Na-2H]-

527.20511

225.1

[M]+

506.22989

230.8

[M]-

506.23099

230.8

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

Chebi:140110

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe