CID 3039047

42069-33-0

Structural Information

Molecular Formula
C19H15N3O3
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C(NC(=O)C3=NC=CN=C3)O
InChI
InChI=1S/C19H15N3O3/c23-17(19(25)22-18(24)16-12-20-10-11-21-16)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12,19,25H,(H,22,24)
InChIKey
RUUKMISIPKBURH-UHFFFAOYSA-N
Compound name
N-[1-hydroxy-2-oxo-2-(4-phenylphenyl)ethyl]pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.11133 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.11861 176.4
[M+Na]+ 356.10055 180.9
[M-H]- 332.10405 181.7
[M+NH4]+ 351.14515 184.8
[M+K]+ 372.07449 176.1
[M+H-H2O]+ 316.10859 165.5
[M+HCOO]- 378.10953 195.1
[M+CH3COO]- 392.12518 208.7
[M+Na-2H]- 354.08600 180.6
[M]+ 333.11078 174.1
[M]- 333.11188 174.1
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.