CID 3039048

Brn 0841867

Structural Information

Molecular Formula
C19H15N3O4
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)C(NC(=O)C3=NC=CN=C3)O
InChI
InChI=1S/C19H15N3O4/c23-17(19(25)22-18(24)16-12-20-10-11-21-16)13-6-8-15(9-7-13)26-14-4-2-1-3-5-14/h1-12,19,25H,(H,22,24)
InChIKey
MLVXCDJNGXJHBC-UHFFFAOYSA-N
Compound name
N-[1-hydroxy-2-oxo-2-(4-phenoxyphenyl)ethyl]pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.10626 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.11354 178.9
[M+Na]+ 372.09548 183.1
[M-H]- 348.09898 184.2
[M+NH4]+ 367.14008 186.5
[M+K]+ 388.06942 179.1
[M+H-H2O]+ 332.10352 167.7
[M+HCOO]- 394.10446 197.7
[M+CH3COO]- 408.12011 210.9
[M+Na-2H]- 370.08093 183.2
[M]+ 349.10571 178.0
[M]- 349.10681 178.0
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.