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 177.8
[M+Na]+ 332.18322 181.5
[M-H]- 308.18672 180.2
[M+NH4]+ 327.22782 191.0
[M+K]+ 348.15716 179.5
[M+H-H2O]+ 292.19126 171.0
[M+HCOO]- 354.19220 194.4
[M+CH3COO]- 368.20785 208.7
[M+Na-2H]- 330.16867 174.7
[M]+ 309.19345 177.7
[M]- 309.19455 177.7
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