CID 120524

N-((diethylamino)methyl)pyrazinecarboxamide

Structural Information

Molecular Formula
C10H16N4O
SMILES
CCN(CC)CNC(=O)C1=NC=CN=C1
InChI
InChI=1S/C10H16N4O/c1-3-14(4-2)8-13-10(15)9-7-11-5-6-12-9/h5-7H,3-4,8H2,1-2H3,(H,13,15)
InChIKey
HJOCENZPTLAPNV-UHFFFAOYSA-N
Compound name
N-(diethylaminomethyl)pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

208.13242 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.139696 147.8
[M+Na]+ 231.121638 153.2
[M-H]- 207.125144 149.7
[M+NH4]+ 226.166243 163.8
[M+K]+ 247.095578 152.5
[M+H-H2O]+ 191.129680 138.9
[M+HCOO]- 253.130621 171.4
[M+CH3COO]- 267.146271 194.3
[M+Na-2H]- 229.107086 154.4
[M]+ 208.13187142 148.8
[M]- 208.13296858 148.8
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