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
3
Annotation Hits

2
References

639
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

literature stripe

Patent stripe

patents stripe