CID 6438743

Lanomycin

Structural Information

Molecular Formula
C17H27NO4
SMILES
C/C=C/C=C/C=C(\C)/C1C(C(C(CO1)C)OC)OC(=O)CN
InChI
InChI=1S/C17H27NO4/c1-5-6-7-8-9-12(2)16-17(22-14(19)10-18)15(20-4)13(3)11-21-16/h5-9,13,15-17H,10-11,18H2,1-4H3/b6-5+,8-7+,12-9+
InChIKey
DMLQRXAYJODTLF-XXDOZSIZSA-N
Compound name
[4-methoxy-5-methyl-2-[(2E,4E,6E)-octa-2,4,6-trien-2-yl]oxan-3-yl] 2-aminoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

309.194 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.20128 177.4
[M+Na]+ 332.18322 184.4
[M+NH4]+ 327.22782 181.6
[M+K]+ 348.15716 179.9
[M-H]- 308.18672 177.8
[M+Na-2H]- 330.16867 176.4
[M]+ 309.19345 177.9
[M]- 309.19455 177.9
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

No patent data available for this compound.