CID 3039046

Brn 0832710

Structural Information

Molecular Formula
C13H10N4O5
SMILES
C1=CC(=CC=C1C(=O)C(NC(=O)C2=NC=CN=C2)O)[N+](=O)[O-]
InChI
InChI=1S/C13H10N4O5/c18-11(8-1-3-9(4-2-8)17(21)22)13(20)16-12(19)10-7-14-5-6-15-10/h1-7,13,20H,(H,16,19)
InChIKey
DGIANCYMFWVXAS-UHFFFAOYSA-N
Compound name
N-[1-hydroxy-2-(4-nitrophenyl)-2-oxoethyl]pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.06512 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.07240 161.0
[M+Na]+ 325.05434 172.2
[M+NH4]+ 320.09894 165.3
[M+K]+ 341.02828 171.9
[M-H]- 301.05784 163.0
[M+Na-2H]- 323.03979 167.3
[M]+ 302.06457 162.6
[M]- 302.06567 162.6
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.