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]+ 303.072396 161.0
[M+Na]+ 325.054338 165.0
[M-H]- 301.057844 163.8
[M+NH4]+ 320.098943 170.2
[M+K]+ 341.028278 158.6
[M+H-H2O]+ 285.062380 156.0
[M+HCOO]- 347.063321 181.6
[M+CH3COO]- 361.078971 195.4
[M+Na-2H]- 323.039786 167.8
[M]+ 302.06457142 157.8
[M]- 302.06566858 157.8
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.