CID 607164

5-amino-2-(4-cyanophenyl)pyrimidine

Structural Information

Molecular Formula
C11H8N4
SMILES
C1=CC(=CC=C1C#N)C2=NC=C(C=N2)N
InChI
InChI=1S/C11H8N4/c12-5-8-1-3-9(4-2-8)11-14-6-10(13)7-15-11/h1-4,6-7H,13H2
InChIKey
ZUHYODFJXMGYJE-UHFFFAOYSA-N
Compound name
4-(5-aminopyrimidin-2-yl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

196.07489 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.08217 144.3
[M+Na]+ 219.06411 154.7
[M-H]- 195.06761 146.5
[M+NH4]+ 214.10871 158.2
[M+K]+ 235.03805 149.6
[M+H-H2O]+ 179.07215 129.0
[M+HCOO]- 241.07309 163.2
[M+CH3COO]- 255.08874 155.1
[M+Na-2H]- 217.04956 150.9
[M]+ 196.07434 137.0
[M]- 196.07544 137.0
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