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 269.4
[M+Na]+ 784.48177 273.9
[M-H]- 760.48527 266.3
[M+NH4]+ 779.52637 269.7
[M+K]+ 800.45571 254.0
[M+H-H2O]+ 744.48981 255.1
[M+HCOO]- 806.49075 271.0
[M+CH3COO]- 820.50640 297.6
[M+Na-2H]- 782.46722 298.1
[M]+ 761.49200 274.6
[M]- 761.49310 274.6
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.