CID 501380

N-[[benzyl(methyl)amino]methyl]pyrazine-2-carboxamide

Structural Information

Molecular Formula
C14H16N4O
SMILES
CN(CC1=CC=CC=C1)CNC(=O)C2=NC=CN=C2
InChI
InChI=1S/C14H16N4O/c1-18(10-12-5-3-2-4-6-12)11-17-14(19)13-9-15-7-8-16-13/h2-9H,10-11H2,1H3,(H,17,19)
InChIKey
KTLQQPNELOJSHI-UHFFFAOYSA-N
Compound name
N-[[benzyl(methyl)amino]methyl]pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

256.13242 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.13970 158.5
[M+Na]+ 279.12164 163.5
[M-H]- 255.12514 163.3
[M+NH4]+ 274.16624 172.0
[M+K]+ 295.09558 160.8
[M+H-H2O]+ 239.12968 148.2
[M+HCOO]- 301.13062 182.2
[M+CH3COO]- 315.14627 202.0
[M+Na-2H]- 277.10709 165.9
[M]+ 256.13187 158.4
[M]- 256.13297 158.4
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

patents stripe