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
3
Annotation Hits

18
References

4406
Patents

265.14264 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.14992 162.8
[M+Na]+ 288.13186 170.4
[M+NH4]+ 283.17646 167.4
[M+K]+ 304.10580 165.8
[M-H]- 264.13536 162.5
[M+Na-2H]- 286.11731 166.3
[M]+ 265.14209 163.1
[M]- 265.14319 163.1
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