CID 15056855

Mycinamicin viii

Structural Information

Molecular Formula
C29H47NO6
SMILES
CC[C@@H]1[C@H](/C=C/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](/C=C/C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)C
InChI
InChI=1S/C29H47NO6/c1-9-25-18(2)12-10-11-13-24(31)20(4)16-21(5)28(19(3)14-15-26(32)35-25)36-29-27(33)23(30(7)8)17-22(6)34-29/h10-15,18-23,25,27-29,33H,9,16-17H2,1-8H3/b12-10+,13-11+,15-14+/t18-,19-,20+,21-,22+,23-,25+,27+,28+,29-/m0/s1
InChIKey
XUBWLMQSFCTODE-UCOIGXIWSA-N
Compound name
(3E,5S,6S,7S,9R,11E,13E,15S,16R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-5,7,9,15-tetramethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

6
Patents

505.34033 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 506.34761 221.6
[M+Na]+ 528.32955 230.6
[M+NH4]+ 523.37415 224.3
[M+K]+ 544.30349 226.2
[M-H]- 504.33305 228.1
[M+Na-2H]- 526.31500 222.0
[M]+ 505.33978 224.2
[M]- 505.34088 224.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe