PubChemLite - Ravidomycin (C31H33NO9)

Structural Information

Molecular Formula

SMILES

C[C@@H]1[C@@H]([C@@H]([C@H](C(O1)C2=C3C(=C(C=C2)O)C(=CC4=C3OC(=O)C5=C4C(=CC(=C5)C=C)OC)OC)O)N(C)C)OC(=O)C

InChI

InChI=1S/C31H33NO9/c1-8-16-11-19-23(21(12-16)37-6)18-13-22(38-7)25-20(34)10-9-17(24(25)29(18)41-31(19)36)30-27(35)26(32(4)5)28(14(2)39-30)40-15(3)33/h8-14,26-28,30,34-35H,1H2,2-7H3/t14-,26-,27-,28+,30?/m1/s1

InChIKey

GHLIFBNIGXVDHM-VQXSZRIGSA-N

Compound name

[(2R,3R,4R,5R)-4-(dimethylamino)-6-(8-ethenyl-1-hydroxy-10,12-dimethoxy-6-oxonaphtho[1,2-c]isochromen-4-yl)-5-hydroxy-2-methyloxan-3-yl] acetate

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]+	564.22278	236.7
[M+Na]+	586.20472	251.0
[M+NH4]+	581.24932	240.6
[M+K]+	602.17866	245.7
[M-H]-	562.20822	243.1
[M+Na-2H]-	584.19017	236.6
[M]+	563.21495	240.6
[M]-	563.21605	240.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

564.22278

236.7

[M+Na]+

586.20472

251.0

[M+NH4]+

581.24932

240.6

[M+K]+

602.17866

245.7

[M-H]-

562.20822

243.1

[M+Na-2H]-

584.19017

236.6

[M]+

563.21495

240.6

[M]-

563.21605

240.6

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

Ravidomycin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe