CID 25158706

Pestalamide c

Structural Information

Molecular Formula

C₁₅H₁₆N₂O₃

SMILES

C1=CC=C(C=C1)CC2=CC(=O)C(=CN2CCO)C(=O)N

InChI

InChI=1S/C15H16N2O3/c16-15(20)13-10-17(6-7-18)12(9-14(13)19)8-11-4-2-1-3-5-11/h1-5,9-10,18H,6-8H2,(H2,16,20)

InChIKey

UDMZEYMXXKXZBY-UHFFFAOYSA-N

Compound name

6-benzyl-1-(2-hydroxyethyl)-4-oxopyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 272.1161 Da
Monoisotopic Mass: 1.2
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]+	273.123376	161.6
[M+Na]+	295.105318	169.3
[M-H]-	271.108824	165.6
[M+NH4]+	290.149923	175.3
[M+K]+	311.079258	164.8
[M+H-H2O]+	255.113360	153.3
[M+HCOO]-	317.114301	183.2
[M+CH3COO]-	331.129951	198.6
[M+Na-2H]-	293.090766	164.7
[M]+	272.11555142	161.4
[M]-	272.11664858	161.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.