CID 10972974

Myxothiazol

Structural Information

Molecular Formula
C25H33N3O3S2
SMILES
C[C@@H](/C=C/C=C/C(C)C)C1=NC(=CS1)C2=NC(=CS2)/C=C/[C@@H]([C@@H](C)/C(=C\C(=O)N)/OC)OC
InChI
InChI=1S/C25H33N3O3S2/c1-16(2)9-7-8-10-17(3)24-28-20(15-33-24)25-27-19(14-32-25)11-12-21(30-5)18(4)22(31-6)13-23(26)29/h7-18,21H,1-6H3,(H2,26,29)/b9-7+,10-8+,12-11+,22-13+/t17-,18+,21-/m0/s1
InChIKey
XKTFQMCPGMTBMD-FYHMSGCOSA-N
Compound name
(2E,4R,5S,6E)-3,5-dimethoxy-4-methyl-7-[2-[2-[(2S,3E,5E)-7-methylocta-3,5-dien-2-yl]-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]hepta-2,6-dienamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

296
References

1037
Patents

487.19632 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.20360 218.5
[M+Na]+ 510.18554 222.9
[M+NH4]+ 505.23014 221.0
[M+K]+ 526.15948 218.9
[M-H]- 486.18904 217.4
[M+Na-2H]- 508.17099 218.0
[M]+ 487.19577 219.0
[M]- 487.19687 219.0
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