CID 133983

Ravidomycin n-oxide

Structural Information

Molecular Formula
C31H33NO10
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

compound 2d structure
1
Annotation Hits

1
References

45
Patents

579.21045 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 580.21773 238.0
[M+Na]+ 602.19967 253.0
[M+NH4]+ 597.24427 241.8
[M+K]+ 618.17361 250.0
[M-H]- 578.20317 244.7
[M+Na-2H]- 600.18512 238.0
[M]+ 579.20990 242.1
[M]- 579.21100 242.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe