CID 501388

5-methyl-n-[(4-methylpiperazin-1-yl)methyl]pyrazine-2-carboxamide

Structural Information

Molecular Formula
C12H19N5O
SMILES
CC1=CN=C(C=N1)C(=O)NCN2CCN(CC2)C
InChI
InChI=1S/C12H19N5O/c1-10-7-14-11(8-13-10)12(18)15-9-17-5-3-16(2)4-6-17/h7-8H,3-6,9H2,1-2H3,(H,15,18)
InChIKey
ZFIQVICROJSCPR-UHFFFAOYSA-N
Compound name
5-methyl-N-[(4-methylpiperazin-1-yl)methyl]pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

249.15897 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.16625 161.0
[M+Na]+ 272.14819 166.5
[M-H]- 248.15169 161.5
[M+NH4]+ 267.19279 172.1
[M+K]+ 288.12213 163.1
[M+H-H2O]+ 232.15623 150.4
[M+HCOO]- 294.15717 176.7
[M+CH3COO]- 308.17282 196.8
[M+Na-2H]- 270.13364 165.0
[M]+ 249.15842 157.2
[M]- 249.15952 157.2
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

No patent data available for this compound.