CID 251643

Mitopodozide

Structural Information

Molecular Formula
C24H30N2O8
SMILES
CCNNC(=O)[C@H]1[C@@H]([C@H](C2=CC3=C(C=C2[C@H]1C4=CC(=C(C(=C4)OC)OC)OC)OCO3)O)CO
InChI
InChI=1S/C24H30N2O8/c1-5-25-26-24(29)21-15(10-27)22(28)14-9-17-16(33-11-34-17)8-13(14)20(21)12-6-18(30-2)23(32-4)19(7-12)31-3/h6-9,15,20-22,25,27-28H,5,10-11H2,1-4H3,(H,26,29)/t15-,20+,21-,22-/m0/s1
InChIKey
CPTIBDHUFVHUJK-NZYDNVMFSA-N
Compound name
(5R,6R,7R,8R)-N'-ethyl-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole-6-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

68
References

3263
Patents

474.20023 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.20751 214.3
[M+Na]+ 497.18945 222.8
[M+NH4]+ 492.23405 218.1
[M+K]+ 513.16339 221.3
[M-H]- 473.19295 219.0
[M+Na-2H]- 495.17490 212.8
[M]+ 474.19968 216.4
[M]- 474.20078 216.4
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