CID 58709675

4-ethyl-5-phenylpyrimidin-2-amine

Structural Information

Molecular Formula
C12H13N3
SMILES
CCC1=NC(=NC=C1C2=CC=CC=C2)N
InChI
InChI=1S/C12H13N3/c1-2-11-10(8-14-12(13)15-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H2,13,14,15)
InChIKey
OZMWQNXKYWHOAK-UHFFFAOYSA-N
Compound name
4-ethyl-5-phenylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

199.11095 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.118226 144.4
[M+Na]+ 222.100168 153.1
[M-H]- 198.103674 148.3
[M+NH4]+ 217.144773 160.6
[M+K]+ 238.074108 148.7
[M+H-H2O]+ 182.108210 135.8
[M+HCOO]- 244.109151 167.3
[M+CH3COO]- 258.124801 157.0
[M+Na-2H]- 220.085616 151.7
[M]+ 199.11040142 142.9
[M]- 199.11149858 142.9
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