CID 508515

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

Structural Information

Molecular Formula
C22H21N5
SMILES
CN(C)C1=NC=C(C(=N1)C2=CC=CC=C2)C(C3=CC=CC=C3)N4C=CN=C4
InChI
InChI=1S/C22H21N5/c1-26(2)22-24-15-19(20(25-22)17-9-5-3-6-10-17)21(27-14-13-23-16-27)18-11-7-4-8-12-18/h3-16,21H,1-2H3
InChIKey
SKFIMVLPOFSJME-UHFFFAOYSA-N
Compound name
5-[imidazol-1-yl(phenyl)methyl]-N,N-dimethyl-4-phenylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

355.1797 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.18698 185.2
[M+Na]+ 378.16892 191.3
[M-H]- 354.17242 193.8
[M+NH4]+ 373.21352 193.3
[M+K]+ 394.14286 185.0
[M+H-H2O]+ 338.17696 171.7
[M+HCOO]- 400.17790 204.9
[M+CH3COO]- 414.19355 194.3
[M+Na-2H]- 376.15437 188.4
[M]+ 355.17915 185.0
[M]- 355.18025 185.0
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

No patent data available for this compound.