PubChemLite - Ravidomycin n-oxide (C31H33NO10)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C31H33NO10/c1-8-16-11-19-23(21(12-16)38-6)18-13-22(39-7)25-20(34)10-9-17(24(25)29(18)42-31(19)36)30-27(35)26(32(4,5)37)28(14(2)40-30)41-15(3)33/h8-14,26-28,30,34-35H,1H2,2-7H3/t14-,26-,27-,28+,30+/m1/s1

InChIKey

JDRNEUMZVBWRJJ-LSXWJJIVSA-N

Compound name

(2S,3R,4R,5R,6R)-5-acetyloxy-2-(8-ethenyl-1-hydroxy-10,12-dimethoxy-6-oxonaphtho[1,2-c]isochromen-4-yl)-3-hydroxy-N,N,6-trimethyloxan-4-amine oxide

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]+	580.21773	240.9
[M+Na]+	602.19967	246.4
[M-H]-	578.20317	249.0
[M+NH4]+	597.24427	242.7
[M+K]+	618.17361	242.4
[M+H-H2O]+	562.20771	233.9
[M+HCOO]-	624.20865	249.4
[M+CH3COO]-	638.22430	255.9
[M+Na-2H]-	600.18512	244.3
[M]+	579.20990	248.0
[M]-	579.21100	248.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

580.21773

240.9

[M+Na]+

602.19967

246.4

[M-H]-

578.20317

249.0

[M+NH4]+

597.24427

242.7

[M+K]+

618.17361

242.4

[M+H-H2O]+

562.20771

233.9

[M+HCOO]-

624.20865

249.4

[M+CH3COO]-

638.22430

255.9

[M+Na-2H]-

600.18512

244.3

[M]+

579.20990

248.0

[M]-

579.21100

248.0

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

Ravidomycin n-oxide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe