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

63
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

literature stripe

Patent stripe

patents stripe