CID 508514

2-pyrimidinamine, 5-(1h-imidazol-1-ylphenylmethyl)-4-phenyl-

Structural Information

Molecular Formula
C20H17N5
SMILES
C1=CC=C(C=C1)C2=NC(=NC=C2C(C3=CC=CC=C3)N4C=CN=C4)N
InChI
InChI=1S/C20H17N5/c21-20-23-13-17(18(24-20)15-7-3-1-4-8-15)19(25-12-11-22-14-25)16-9-5-2-6-10-16/h1-14,19H,(H2,21,23,24)
InChIKey
PJAPAPSOAZKDHW-UHFFFAOYSA-N
Compound name
5-[imidazol-1-yl(phenyl)methyl]-4-phenylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

327.1484 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.15568 176.5
[M+Na]+ 350.13762 183.6
[M-H]- 326.14112 183.7
[M+NH4]+ 345.18222 185.0
[M+K]+ 366.11156 176.0
[M+H-H2O]+ 310.14566 163.8
[M+HCOO]- 372.14660 196.0
[M+CH3COO]- 386.16225 185.9
[M+Na-2H]- 348.12307 180.6
[M]+ 327.14785 173.7
[M]- 327.14895 173.7
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

No patent data available for this compound.