CID 169502106

Descladinose-dehydroxy-2-ene-azithromycin

Structural Information

Molecular Formula
C30H56N2O8
SMILES
CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H](/C=C(\C(=O)O1)/C)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)(C)O)C)C)C)O)(C)O
InChI
InChI=1S/C30H56N2O8/c1-12-23-30(8,37)25(34)21(6)32(11)16-17(2)15-29(7,36)26(18(3)13-19(4)27(35)39-23)40-28-24(33)22(31(9)10)14-20(5)38-28/h13,17-18,20-26,28,33-34,36-37H,12,14-16H2,1-11H3/b19-13-/t17-,18+,20-,21-,22+,23-,24-,25-,26-,28+,29-,30-/m1/s1
InChIKey
RPKREJAWUPYFEA-HCEUWYCISA-N
Compound name
(2R,3S,4R,5R,8R,10R,11R,12S,13Z)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadec-13-en-15-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

572.4037 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 573.41098 233.8
[M+Na]+ 595.39292 239.1
[M+NH4]+ 590.43752 236.1
[M+K]+ 611.36686 234.7
[M-H]- 571.39642 236.5
[M+Na-2H]- 593.37837 232.3
[M]+ 572.40315 234.8
[M]- 572.40425 234.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.