CID 3039044

Brn 0440871

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]+ 349.11828 179.7
[M+Na]+ 371.10022 183.6
[M-H]- 347.10372 186.3
[M+NH4]+ 366.14482 188.8
[M+K]+ 387.07416 179.7
[M+H-H2O]+ 331.10826 169.2
[M+HCOO]- 393.10920 199.6
[M+CH3COO]- 407.12485 211.1
[M+Na-2H]- 369.08567 183.2
[M]+ 348.11045 178.7
[M]- 348.11155 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.