CID 6433555

Lydimycin

Structural Information

Molecular Formula
C10H14N2O3S
SMILES
C1[C@H]2[C@@H]([C@@H](S1)CC/C=C/C(=O)O)NC(=O)N2
InChI
InChI=1S/C10H14N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h2,4,6-7,9H,1,3,5H2,(H,13,14)(H2,11,12,15)/b4-2+/t6-,7-,9-/m0/s1
InChIKey
NZERRTYPTPRCIR-ARSLAPBQSA-N
Compound name
(E)-5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pent-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

633
Patents

242.07251 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.079786 156.8
[M+Na]+ 265.061728 163.2
[M-H]- 241.065234 154.3
[M+NH4]+ 260.106333 174.7
[M+K]+ 281.035668 158.6
[M+H-H2O]+ 225.069770 151.8
[M+HCOO]- 287.070711 166.1
[M+CH3COO]- 301.086361 181.1
[M+Na-2H]- 263.047176 153.0
[M]+ 242.07196142 153.6
[M]- 242.07305858 153.6
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.