CID 501378

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

Structural Information

Molecular Formula
C11H17N5O
SMILES
CN1CCN(CC1)CNC(=O)C2=NC=CN=C2
InChI
InChI=1S/C11H17N5O/c1-15-4-6-16(7-5-15)9-14-11(17)10-8-12-2-3-13-10/h2-3,8H,4-7,9H2,1H3,(H,14,17)
InChIKey
ZTNOSNSPGDXALT-UHFFFAOYSA-N
Compound name
N-[(4-methylpiperazin-1-yl)methyl]pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

235.14331 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.15059 155.9
[M+Na]+ 258.13253 160.9
[M-H]- 234.13603 156.1
[M+NH4]+ 253.17713 167.2
[M+K]+ 274.10647 157.7
[M+H-H2O]+ 218.14057 145.1
[M+HCOO]- 280.14151 171.9
[M+CH3COO]- 294.15716 192.6
[M+Na-2H]- 256.11798 161.2
[M]+ 235.14276 151.3
[M]- 235.14386 151.3
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