CID 165906

Lipoxamycin

Structural Information

Molecular Formula

C₁₉H₃₆N₂O₅

SMILES

CC(C)CCCC(=O)CCCCCCC(=O)CCN(C(=O)[C@H](CO)N)O

InChI

InChI=1S/C19H36N2O5/c1-15(2)8-7-11-16(23)9-5-3-4-6-10-17(24)12-13-21(26)19(25)18(20)14-22/h15,18,22,26H,3-14,20H2,1-2H3/t18-/m0/s1

InChIKey

ILLOYMPJYAVZKU-SFHVURJKSA-N

Compound name

(2S)-2-amino-N,3-dihydroxy-N-(14-methyl-3,10-dioxopentadecyl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 66
Patents: 372.26242 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	373.269696	198.1
[M+Na]+	395.251638	197.0
[M-H]-	371.255144	194.2
[M+NH4]+	390.296243	205.9
[M+K]+	411.225578	196.4
[M+H-H2O]+	355.259680	190.4
[M+HCOO]-	417.260621	198.7
[M+CH3COO]-	431.276271	225.1
[M+Na-2H]-	393.237086	190.1
[M]+	372.26187142	200.7
[M]-	372.26296858	200.7

Literature stripe

literature stripe

Patent stripe

patents stripe