CID 10370209

3'-desamine-3-ene-decladinoseazithromycin

Structural Information

Molecular Formula
C28H51NO9
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=C[C@H](O2)C)O)(C)O)C)C)C)O)(C)O
InChI
InChI=1S/C28H51NO9/c1-10-21-28(8,35)23(32)19(6)29(9)14-15(2)13-27(7,34)24(17(4)22(31)18(5)25(33)37-21)38-26-20(30)12-11-16(3)36-26/h11-12,15-24,26,30-32,34-35H,10,13-14H2,1-9H3/t15-,16-,17+,18-,19-,20-,21-,22+,23-,24-,26+,27-,28-/m1/s1
InChIKey
WJIHIEWIEXYURU-YTYMPLCASA-N
Compound name
(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10,13-tetrahydroxy-11-[[(2S,3R,6R)-3-hydroxy-6-methyl-3,6-dihydro-2H-pyran-2-yl]oxy]-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

545.3564 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 546.36368 225.5
[M+Na]+ 568.34562 231.3
[M+NH4]+ 563.39022 227.6
[M+K]+ 584.31956 227.3
[M-H]- 544.34912 226.9
[M+Na-2H]- 566.33107 223.5
[M]+ 545.35585 226.2
[M]- 545.35695 226.2
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

patents stripe