PubChemLite - Azitromycin (C39H74N2O11)

Structural Information

Molecular Formula

SMILES

CCC1CC(=O)C(C(C(C(C(CC(CN(C(C(C1(C)O)O)C)C)C)(C)O)OC2C(C(CC(O2)C)N(C)C)O)C)OC3CC(C(C(O3)C)O)(C)OC)C

InChI

InChI=1S/C39H74N2O11/c1-15-27-17-29(42)23(4)32(51-30-19-38(9,48-14)34(45)26(7)50-30)24(5)35(52-36-31(43)28(40(11)12)16-22(3)49-36)37(8,46)18-21(2)20-41(13)25(6)33(44)39(27,10)47/h21-28,30-36,43-47H,15-20H2,1-14H3

InChIKey

MXEACJLTBFYQAU-UHFFFAOYSA-N

Compound name

11-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-5-ethyl-3,4,12-trihydroxy-9-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-1,2,4,8,10,12,14-heptamethyl-azacyclopentadecan-7-one

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	747.53652	266.0
[M+Na]+	769.51846	263.4
[M+NH4]+	764.56306	264.2
[M+K]+	785.49240	267.4
[M-H]-	745.52196	257.2
[M+Na-2H]-	767.50391	281.0
[M]+	746.52869	262.6
[M]-	746.52979	262.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

747.53652

266.0

[M+Na]+

769.51846

263.4

[M+NH4]+

764.56306

264.2

[M+K]+

785.49240

267.4

[M-H]-

745.52196

257.2

[M+Na-2H]-

767.50391

281.0

[M]+

746.52869

262.6

[M]-

746.52979

262.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Azitromycin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe