PubChemLite - Palmidin c (C30H22O7)

Structural Information

Molecular Formula

SMILES

CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C5=C(C(=CC(=C5)C)O)C(=O)C6=C4C=C(C=C6O)O)C=CC=C3O

InChI

InChI=1S/C30H22O7/c1-12-6-16-23(15-4-3-5-19(32)25(15)29(36)26(16)20(33)8-12)24-17-7-13(2)9-21(34)27(17)30(37)28-18(24)10-14(31)11-22(28)35/h3-11,23-24,31-35H,1-2H3

InChIKey

VUUFXTUVVIEIMH-UHFFFAOYSA-N

Compound name

10-(4,5-dihydroxy-2-methyl-10-oxo-9H-anthracen-9-yl)-1,3,8-trihydroxy-6-methyl-10H-anthracen-9-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]+	495.14385	219.4
[M+Na]+	517.12579	228.6
[M-H]-	493.12929	224.2
[M+NH4]+	512.17039	227.2
[M+K]+	533.09973	223.1
[M+H-H2O]+	477.13383	209.2
[M+HCOO]-	539.13477	226.1
[M+CH3COO]-	553.15042	225.7
[M+Na-2H]-	515.11124	218.5
[M]+	494.13602	220.5
[M]-	494.13712	220.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

495.14385

219.4

[M+Na]+

517.12579

228.6

[M-H]-

493.12929

224.2

[M+NH4]+

512.17039

227.2

[M+K]+

533.09973

223.1

[M+H-H2O]+

477.13383

209.2

[M+HCOO]-

539.13477

226.1

[M+CH3COO]-

553.15042

225.7

[M+Na-2H]-

515.11124

218.5

[M]+

494.13602

220.5

[M]-

494.13712

220.5

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

Palmidin c

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe