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

5
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

literature stripe

Patent stripe

patents stripe