CID 2813206

Oprea1_040462

Structural Information

Molecular Formula
C13H11N5O4
SMILES
CC(=O)NC1=NC=C(C=C1)NC(=O)C2=NC=CN=C2C(=O)O
InChI
InChI=1S/C13H11N5O4/c1-7(19)17-9-3-2-8(6-16-9)18-12(20)10-11(13(21)22)15-5-4-14-10/h2-6H,1H3,(H,18,20)(H,21,22)(H,16,17,19)
InChIKey
MGKGSUSAYJINQR-UHFFFAOYSA-N
Compound name
3-[(6-acetamido-3-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

301.08112 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.088396 165.8
[M+Na]+ 324.070338 172.1
[M-H]- 300.073844 167.9
[M+NH4]+ 319.114943 174.8
[M+K]+ 340.044278 169.2
[M+H-H2O]+ 284.078380 155.8
[M+HCOO]- 346.079321 185.5
[M+CH3COO]- 360.094971 205.0
[M+Na-2H]- 322.055786 170.6
[M]+ 301.08057142 165.1
[M]- 301.08166858 165.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.