CID 4996

Pyroxamide

Structural Information

Molecular Formula

C₁₃H₁₉N₃O₃

SMILES

C1=CC(=CN=C1)NC(=O)CCCCCCC(=O)NO

InChI

InChI=1S/C13H19N3O3/c17-12(15-11-6-5-9-14-10-11)7-3-1-2-4-8-13(18)16-19/h5-6,9-10,19H,1-4,7-8H2,(H,15,17)(H,16,18)

InChIKey

PTJGLFIIZFVFJV-UHFFFAOYSA-N

Compound name

N'-hydroxy-N-pyridin-3-yloctanediamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 19
References: 4505
Patents: 265.14264 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]+	266.14992	162.0
[M+Na]+	288.13186	165.4
[M-H]-	264.13536	161.9
[M+NH4]+	283.17646	175.3
[M+K]+	304.10580	162.8
[M+H-H2O]+	248.13990	153.6
[M+HCOO]-	310.14084	183.5
[M+CH3COO]-	324.15649	198.3
[M+Na-2H]-	286.11731	165.9
[M]+	265.14209	161.8
[M]-	265.14319	161.8

Literature stripe

literature stripe

Patent stripe

patents stripe