CID 3228611

84746-24-7

Structural Information

Molecular Formula
C12H14N6
SMILES
C1CN(CCN1C2=NC=CC=N2)C3=NC=CC=N3
InChI
InChI=1S/C12H14N6/c1-3-13-11(14-4-1)17-7-9-18(10-8-17)12-15-5-2-6-16-12/h1-6H,7-10H2
InChIKey
CGDIIYVMINKXRL-UHFFFAOYSA-N
Compound name
2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

242.12799 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.13527 158.9
[M+Na]+ 265.11721 165.6
[M-H]- 241.12071 159.3
[M+NH4]+ 260.16181 166.8
[M+K]+ 281.09115 159.9
[M+H-H2O]+ 225.12525 145.6
[M+HCOO]- 287.12619 172.3
[M+CH3COO]- 301.14184 167.5
[M+Na-2H]- 263.10266 166.5
[M]+ 242.12744 153.4
[M]- 242.12854 153.4
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