CID 53439036

4-phenylpyrimidin-5-amine

Structural Information

Molecular Formula
C10H9N3
SMILES
C1=CC=C(C=C1)C2=NC=NC=C2N
InChI
InChI=1S/C10H9N3/c11-9-6-12-7-13-10(9)8-4-2-1-3-5-8/h1-7H,11H2
InChIKey
DQFRFPWGQVAOMT-UHFFFAOYSA-N
Compound name
4-phenylpyrimidin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

171.07965 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.086926 134.9
[M+Na]+ 194.068868 143.5
[M-H]- 170.072374 138.7
[M+NH4]+ 189.113473 151.9
[M+K]+ 210.042808 139.6
[M+H-H2O]+ 154.076910 126.5
[M+HCOO]- 216.077851 158.4
[M+CH3COO]- 230.093501 148.0
[M+Na-2H]- 192.054316 144.1
[M]+ 171.07910142 132.3
[M]- 171.08019858 132.3
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