PubChemLite - 150164-07-1 (C34H42O19)

Structural Information

Molecular Formula

SMILES

CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OC5C(C(C(C(O5)C)O)O)O)C6=CC=C(C=C6)OC)O)O)O)O)O)O

InChI

InChI=1S/C34H42O19/c1-11-20(36)24(40)27(43)32(48-11)47-10-18-22(38)26(42)29(45)34(52-18)53-31-23(39)19-16(35)8-15(50-33-28(44)25(41)21(37)12(2)49-33)9-17(19)51-30(31)13-4-6-14(46-3)7-5-13/h4-9,11-12,18,20-22,24-29,32-38,40-45H,10H2,1-3H3

InChIKey

SUZMJMMFSPJQFB-UHFFFAOYSA-N

Compound name

5-hydroxy-2-(4-methoxyphenyl)-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-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]+	755.23934	262.6
[M+Na]+	777.22128	266.0
[M-H]-	753.22478	258.9
[M+NH4]+	772.26588	264.2
[M+K]+	793.19522	262.2
[M+H-H2O]+	737.22932	258.9
[M+HCOO]-	799.23026	265.5
[M+CH3COO]-	813.24591	268.9
[M+Na-2H]-	775.20673	288.3
[M]+	754.23151	272.5
[M]-	754.23261	272.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

755.23934

262.6

[M+Na]+

777.22128

266.0

[M-H]-

753.22478

258.9

[M+NH4]+

772.26588

264.2

[M+K]+

793.19522

262.2

[M+H-H2O]+

737.22932

258.9

[M+HCOO]-

799.23026

265.5

[M+CH3COO]-

813.24591

268.9

[M+Na-2H]-

775.20673

288.3

[M]+

754.23151

272.5

[M]-

754.23261

272.5

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

150164-07-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe