CID 11517143

3-[(3,5-dimethylphenyl)methyl]-1-(2,2-diphenylethyl)pyrimidine-2,4-dione

Structural Information

Molecular Formula
C27H26N2O2
SMILES
CC1=CC(=CC(=C1)CN2C(=O)C=CN(C2=O)CC(C3=CC=CC=C3)C4=CC=CC=C4)C
InChI
InChI=1S/C27H26N2O2/c1-20-15-21(2)17-22(16-20)18-29-26(30)13-14-28(27(29)31)19-25(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-17,25H,18-19H2,1-2H3
InChIKey
GTYYZFVXBXSSIM-UHFFFAOYSA-N
Compound name
3-[(3,5-dimethylphenyl)methyl]-1-(2,2-diphenylethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

410.19943 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.20671 203.6
[M+Na]+ 433.18865 211.3
[M-H]- 409.19215 213.5
[M+NH4]+ 428.23325 210.5
[M+K]+ 449.16259 203.4
[M+H-H2O]+ 393.19669 190.4
[M+HCOO]- 455.19763 222.4
[M+CH3COO]- 469.21328 212.3
[M+Na-2H]- 431.17410 204.4
[M]+ 410.19888 204.8
[M]- 410.19998 204.8
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

No patent data available for this compound.