CID 15957737

Schembl6086149

Structural Information

Molecular Formula
C24H28N2O4S
SMILES
CC1=CC(=CC(=C1)SC2=C(C(=O)NC(=O)N2CC3=CC(=CC(=C3)OC)OC)C(C)C)C
InChI
InChI=1S/C24H28N2O4S/c1-14(2)21-22(27)25-24(28)26(13-17-10-18(29-5)12-19(11-17)30-6)23(21)31-20-8-15(3)7-16(4)9-20/h7-12,14H,13H2,1-6H3,(H,25,27,28)
InChIKey
JZYYIJFYNWZVBB-UHFFFAOYSA-N
Compound name
1-[(3,5-dimethoxyphenyl)methyl]-6-(3,5-dimethylphenyl)sulfanyl-5-propan-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

440.17697 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.18425 205.8
[M+Na]+ 463.16619 215.4
[M-H]- 439.16969 212.7
[M+NH4]+ 458.21079 213.0
[M+K]+ 479.14013 208.7
[M+H-H2O]+ 423.17423 195.5
[M+HCOO]- 485.17517 218.7
[M+CH3COO]- 499.19082 231.7
[M+Na-2H]- 461.15164 201.7
[M]+ 440.17642 213.7
[M]- 440.17752 213.7
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

patents stripe