CID 6447708

4',23-dideoxy-23-n-ethyl-23-(2-methoxyethylamino)mycaminosyl tylonolide

Structural Information

Molecular Formula
C36H62N2O9
SMILES
CCC1C(/C=C(/C=C\C(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(CC(O2)C)N(C)C)O)CC=O)C)\C)CN(CC)CCOC
InChI
InChI=1S/C36H62N2O9/c1-10-32-28(22-38(11-2)15-17-44-9)18-23(3)12-13-30(40)24(4)19-27(14-16-39)35(26(6)31(41)21-33(42)46-32)47-36-34(43)29(37(7)8)20-25(5)45-36/h12-13,16,18,24-29,31-32,34-36,41,43H,10-11,14-15,17,19-22H2,1-9H3/b13-12-,23-18+
InChIKey
ANKWWFLUMDBUCT-XRFCTAGESA-N
Compound name
2-[(11Z,13E)-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-15-[[ethyl(2-methoxyethyl)amino]methyl]-4-hydroxy-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

666.44556 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 667.45284 259.6
[M+Na]+ 689.43478 263.6
[M+NH4]+ 684.47938 258.2
[M+K]+ 705.40872 261.3
[M-H]- 665.43828 263.9
[M+Na-2H]- 687.42023 255.4
[M]+ 666.44501 260.4
[M]- 666.44611 260.4
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.