CID 3042937

54864-91-4

Structural Information

Molecular Formula
C12H18N4O
SMILES
CNC(=O)C1=CN=C(C=C1)N2CCN(CC2)C
InChI
InChI=1S/C12H18N4O/c1-13-12(17)10-3-4-11(14-9-10)16-7-5-15(2)6-8-16/h3-4,9H,5-8H2,1-2H3,(H,13,17)
InChIKey
CFEYQJGCDHVMSX-UHFFFAOYSA-N
Compound name
N-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

234.14806 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.155336 156.0
[M+Na]+ 257.137278 161.5
[M-H]- 233.140784 157.9
[M+NH4]+ 252.181883 169.1
[M+K]+ 273.111218 158.4
[M+H-H2O]+ 217.145320 146.2
[M+HCOO]- 279.146261 173.1
[M+CH3COO]- 293.161911 193.8
[M+Na-2H]- 255.122726 160.0
[M]+ 234.14751142 151.7
[M]- 234.14860858 151.7
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