CID 3280818

43200-83-5

Structural Information

Molecular Formula
C11H7ClN4O3
SMILES
C1=CC(=NC=C1Cl)NC(=O)C2=NC=CN=C2C(=O)O
InChI
InChI=1S/C11H7ClN4O3/c12-6-1-2-7(15-5-6)16-10(17)8-9(11(18)19)14-4-3-13-8/h1-5H,(H,18,19)(H,15,16,17)
InChIKey
IFJKAXKRMIJQHS-UHFFFAOYSA-N
Compound name
3-[(5-chloropyridin-2-yl)carbamoyl]pyrazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

22
Patents

278.02066 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.02794 156.0
[M+Na]+ 301.00988 164.9
[M-H]- 277.01338 158.0
[M+NH4]+ 296.05448 167.4
[M+K]+ 316.98382 160.1
[M+H-H2O]+ 261.01792 147.2
[M+HCOO]- 323.01886 171.3
[M+CH3COO]- 337.03451 195.5
[M+Na-2H]- 298.99533 161.9
[M]+ 278.02011 157.4
[M]- 278.02121 157.4
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

patents stripe