CID 412805

Pyrimidine, 4-amino-2,6-dibenzyl-5-phenyl-

Structural Information

Molecular Formula
C24H21N3
SMILES
C1=CC=C(C=C1)CC2=C(C(=NC(=N2)CC3=CC=CC=C3)N)C4=CC=CC=C4
InChI
InChI=1S/C24H21N3/c25-24-23(20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)26-22(27-24)17-19-12-6-2-7-13-19/h1-15H,16-17H2,(H2,25,26,27)
InChIKey
YYHHGERFHBNSHG-UHFFFAOYSA-N
Compound name
2,6-dibenzyl-5-phenylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

351.17355 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.18083 187.7
[M+Na]+ 374.16277 194.3
[M-H]- 350.16627 196.6
[M+NH4]+ 369.20737 196.2
[M+K]+ 390.13671 185.6
[M+H-H2O]+ 334.17081 175.0
[M+HCOO]- 396.17175 208.4
[M+CH3COO]- 410.18740 196.7
[M+Na-2H]- 372.14822 192.6
[M]+ 351.17300 184.9
[M]- 351.17410 184.9
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

No patent data available for this compound.