CID 2816413

103151-40-2

Structural Information

Molecular Formula
C10H14N6
SMILES
CN1CCN(CC1)C2=NC=C(C(=N2)N)C#N
InChI
InChI=1S/C10H14N6/c1-15-2-4-16(5-3-15)10-13-7-8(6-11)9(12)14-10/h7H,2-5H2,1H3,(H2,12,13,14)
InChIKey
JVINSPXXPZUMTH-UHFFFAOYSA-N
Compound name
4-amino-2-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

218.12799 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.135266 146.7
[M+Na]+ 241.117208 154.9
[M-H]- 217.120714 145.6
[M+NH4]+ 236.161813 157.2
[M+K]+ 257.091148 150.9
[M+H-H2O]+ 201.125250 129.9
[M+HCOO]- 263.126191 159.5
[M+CH3COO]- 277.141841 155.3
[M+Na-2H]- 239.102656 150.8
[M]+ 218.12744142 136.5
[M]- 218.12853858 136.5
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

No patent data available for this compound.