CID 14589666

Clarithromycin impurity e

Structural Information

Molecular Formula
C39H71NO13
SMILES
CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC)C)C)OC)(C)O
InChI
InChI=1S/C39H71NO13/c1-16-27-39(10,45)34(46-13)22(4)29(41)20(2)18-38(9,48-15)33(53-36-30(42)26(40(11)12)17-21(3)49-36)23(5)31(24(6)35(44)51-27)52-28-19-37(8,47-14)32(43)25(7)50-28/h20-28,30-34,36,42-43,45H,16-19H2,1-15H3
InChIKey
DWRKNXHSSDFLOJ-UHFFFAOYSA-N
Compound name
6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-13-hydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-7,12-dimethoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

761.49255 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 762.49983 267.8
[M+Na]+ 784.48177 264.7
[M+NH4]+ 779.52637 265.7
[M+K]+ 800.45571 269.7
[M-H]- 760.48527 258.9
[M+Na-2H]- 782.46722 284.6
[M]+ 761.49200 264.1
[M]- 761.49310 264.1
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.