CID 3039039

Brn 0414804

Structural Information

Molecular Formula
C15H14N2O3
SMILES
CC1=CC=C(C=C1)C(=O)C(NC(=O)C2=CN=CC=C2)O
InChI
InChI=1S/C15H14N2O3/c1-10-4-6-11(7-5-10)13(18)15(20)17-14(19)12-3-2-8-16-9-12/h2-9,15,20H,1H3,(H,17,19)
InChIKey
RAXGFZFBBFLLJL-UHFFFAOYSA-N
Compound name
N-[1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.10043 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.10771 160.8
[M+Na]+ 293.08965 166.1
[M-H]- 269.09315 164.8
[M+NH4]+ 288.13425 174.1
[M+K]+ 309.06359 163.1
[M+H-H2O]+ 253.09769 152.4
[M+HCOO]- 315.09863 181.1
[M+CH3COO]- 329.11428 197.8
[M+Na-2H]- 291.07510 164.2
[M]+ 270.09988 159.5
[M]- 270.10098 159.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.