CID 16654915

Putrebactin

Structural Information

Molecular Formula

C₁₆H₂₈N₄O₆

SMILES

C1CCN(C(=O)CCC(=O)NCCCCN(C(=O)CCC(=O)NC1)O)O

InChI

InChI=1S/C16H28N4O6/c21-13-5-7-16(24)20(26)12-4-2-10-18-14(22)6-8-15(23)19(25)11-3-1-9-17-13/h25-26H,1-12H2,(H,17,21)(H,18,22)

InChIKey

ONQBBCUWASUJGE-UHFFFAOYSA-N

Compound name

1,11-dihydroxy-1,6,11,16-tetrazacycloicosane-2,5,12,15-tetrone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 19
References: 810
Patents: 372.2009 Da
Monoisotopic Mass: -2.2
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]+	373.20818	183.3
[M+Na]+	395.19012	187.8
[M+NH4]+	390.23472	182.9
[M+K]+	411.16406	186.7
[M-H]-	371.19362	179.8
[M+Na-2H]-	393.17557	182.0
[M]+	372.20035	181.5
[M]-	372.20145	181.5

Literature stripe

literature stripe

Patent stripe

patents stripe