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
2
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]+ 573.410976 238.8
[M+Na]+ 595.392918 242.6
[M-H]- 571.396424 240.3
[M+NH4]+ 590.437523 239.5
[M+K]+ 611.366858 244.5
[M+H-H2O]+ 555.400960 237.7
[M+HCOO]- 617.401901 240.2
[M+CH3COO]- 631.417551 257.0
[M+Na-2H]- 593.378366 228.8
[M]+ 572.40315142 237.4
[M]- 572.40424858 237.4
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

No patent data available for this compound.