CID 501377

N-[(dipropylamino)methyl]pyrazine-2-carboxamide

Structural Information

Molecular Formula
C12H20N4O
SMILES
CCCN(CCC)CNC(=O)C1=NC=CN=C1
InChI
InChI=1S/C12H20N4O/c1-3-7-16(8-4-2)10-15-12(17)11-9-13-5-6-14-11/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,15,17)
InChIKey
BCJXXCBKEJUVDM-UHFFFAOYSA-N
Compound name
N-[(dipropylamino)methyl]pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

236.16371 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.17099 156.8
[M+Na]+ 259.15293 161.4
[M-H]- 235.15643 158.3
[M+NH4]+ 254.19753 171.7
[M+K]+ 275.12687 160.1
[M+H-H2O]+ 219.16097 147.6
[M+HCOO]- 281.16191 179.8
[M+CH3COO]- 295.17756 200.3
[M+Na-2H]- 257.13838 162.4
[M]+ 236.16316 158.6
[M]- 236.16426 158.6
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