CID 619024

4,6-diphenylpyrimidin-2-amine

Structural Information

Molecular Formula
C16H13N3
SMILES
C1=CC=C(C=C1)C2=CC(=NC(=N2)N)C3=CC=CC=C3
InChI
InChI=1S/C16H13N3/c17-16-18-14(12-7-3-1-4-8-12)11-15(19-16)13-9-5-2-6-10-13/h1-11H,(H2,17,18,19)
InChIKey
KZUCBEYDRUCBCS-UHFFFAOYSA-N
Compound name
4,6-diphenylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

114
Patents

247.11095 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.11823 156.6
[M+Na]+ 270.10017 164.8
[M-H]- 246.10367 163.3
[M+NH4]+ 265.14477 170.1
[M+K]+ 286.07411 158.6
[M+H-H2O]+ 230.10821 146.4
[M+HCOO]- 292.10915 179.3
[M+CH3COO]- 306.12480 168.3
[M+Na-2H]- 268.08562 164.3
[M]+ 247.11040 153.8
[M]- 247.11150 153.8
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