CID 3039044

42069-30-7

Structural Information

Molecular Formula
C20H16N2O4
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)C(NC(=O)C3=CN=CC=C3)O
InChI
InChI=1S/C20H16N2O4/c23-18(20(25)22-19(24)15-5-4-12-21-13-15)14-8-10-17(11-9-14)26-16-6-2-1-3-7-16/h1-13,20,25H,(H,22,24)
InChIKey
NBFDFMDLFDPERA-UHFFFAOYSA-N
Compound name
N-[1-hydroxy-2-oxo-2-(4-phenoxyphenyl)ethyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.111 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.118276 179.7
[M+Na]+ 371.100218 183.6
[M-H]- 347.103724 186.3
[M+NH4]+ 366.144823 188.8
[M+K]+ 387.074158 179.7
[M+H-H2O]+ 331.108260 169.2
[M+HCOO]- 393.109201 199.6
[M+CH3COO]- 407.124851 211.1
[M+Na-2H]- 369.085666 183.2
[M]+ 348.11045142 178.7
[M]- 348.11154858 178.7
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.