CID 6436258

Triedimycin a

Structural Information

Molecular Formula
C38H55N3O10
SMILES
CC1C(=O)N(C2(C1(C(CC(C)C(/C=C/C=C/CNC(=O)C(C)(C)C(/C(=C/C=C/C=C/CC3=CN=C(O3)C)/C)O)O)OC)O)C(OC2=O)COC)C
InChI
InChI=1S/C38H55N3O10/c1-24(17-13-10-11-14-18-28-22-40-27(4)50-28)32(43)36(5,6)34(45)39-20-16-12-15-19-29(42)25(2)21-30(49-9)38(47)26(3)33(44)41(7)37(38)31(23-48-8)51-35(37)46/h10-17,19,22,25-26,29-32,42-43,47H,18,20-21,23H2,1-9H3,(H,39,45)/b13-10+,14-11+,16-12+,19-15+,24-17+
InChIKey
YVDZJJOFBCYWRE-QHGUFZRDSA-N
Compound name
(4E,6E,8E)-3-hydroxy-N-[(2E,4E)-6-hydroxy-9-[8-hydroxy-1-(methoxymethyl)-5,7-dimethyl-3,6-dioxo-2-oxa-5-azaspiro[3.4]octan-8-yl]-9-methoxy-7-methylnona-2,4-dienyl]-2,2,4-trimethyl-10-(2-methyl-1,3-oxazol-5-yl)deca-4,6,8-trienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

7
Patents

713.38873 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 714.39601 253.7
[M+Na]+ 736.37795 257.8
[M+NH4]+ 731.42255 255.8
[M+K]+ 752.35189 256.4
[M-H]- 712.38145 256.1
[M+Na-2H]- 734.36340 260.3
[M]+ 713.38818 255.2
[M]- 713.38928 255.2
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