CID 470909

N-benzylpyrazine-2-carboxamide

Structural Information

Molecular Formula
C12H11N3O
SMILES
C1=CC=C(C=C1)CNC(=O)C2=NC=CN=C2
InChI
InChI=1S/C12H11N3O/c16-12(11-9-13-6-7-14-11)15-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,15,16)
InChIKey
LCEYIUAAVRLLIN-UHFFFAOYSA-N
Compound name
N-benzylpyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

213.09021 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.097486 146.0
[M+Na]+ 236.079428 152.7
[M-H]- 212.082934 149.7
[M+NH4]+ 231.124033 161.0
[M+K]+ 252.053368 149.1
[M+H-H2O]+ 196.087470 136.8
[M+HCOO]- 258.088411 168.8
[M+CH3COO]- 272.104061 187.6
[M+Na-2H]- 234.064876 154.7
[M]+ 213.08966142 144.6
[M]- 213.09075858 144.6
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