CID 9851445

Desosaminylazithromycin

Structural Information

Molecular Formula
C30H58N2O9
SMILES
CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)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/C30H58N2O9/c1-12-22-30(8,38)25(35)20(6)32(11)15-16(2)14-29(7,37)26(18(4)23(33)19(5)27(36)40-22)41-28-24(34)21(31(9)10)13-17(3)39-28/h16-26,28,33-35,37-38H,12-15H2,1-11H3/t16-,17-,18+,19-,20-,21+,22-,23+,24-,25-,26-,28+,29-,30-/m1/s1
InChIKey
PXDYILJJHOVNLO-NZMWSZMZSA-N
Compound name
(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10,13-tetrahydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

60
Patents

590.41425 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 591.42153 243.1
[M+Na]+ 613.40347 246.1
[M-H]- 589.40697 243.1
[M+NH4]+ 608.44807 242.4
[M+K]+ 629.37741 248.4
[M+H-H2O]+ 573.41151 242.7
[M+HCOO]- 635.41245 241.6
[M+CH3COO]- 649.42810 259.9
[M+Na-2H]- 611.38892 231.9
[M]+ 590.41370 240.6
[M]- 590.41480 240.6
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.