PubChemLite - Gravacridonetriol glucoside (C25H29NO11)

Structural Information

Molecular Formula

SMILES

CN1C2=CC=CC=C2C(=O)C3=C1C4=C(C=C3O)OC(C4)C(CO)(COC5C(C(C(C(O5)CO)O)O)O)O

InChI

InChI=1S/C25H29NO11/c1-26-13-5-3-2-4-11(13)20(30)18-14(29)7-15-12(19(18)26)6-17(36-15)25(34,9-28)10-35-24-23(33)22(32)21(31)16(8-27)37-24/h2-5,7,16-17,21-24,27-29,31-34H,6,8-10H2,1H3

InChIKey

BFVREXFWNFMMSF-UHFFFAOYSA-N

Compound name

2-[1,2-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-5-hydroxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-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]+	520.18138	219.7
[M+Na]+	542.16332	228.7
[M+NH4]+	537.20792	221.4
[M+K]+	558.13726	230.1
[M-H]-	518.16682	220.7
[M+Na-2H]-	540.14877	215.5
[M]+	519.17355	220.8
[M]-	519.17465	220.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

520.18138

219.7

[M+Na]+

542.16332

228.7

[M+NH4]+

537.20792

221.4

[M+K]+

558.13726

230.1

[M-H]-

518.16682

220.7

[M+Na-2H]-

540.14877

215.5

[M]+

519.17355

220.8

[M]-

519.17465

220.8

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

Gravacridonetriol glucoside

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe