CID 15957733

Schembl6086546

Structural Information

Molecular Formula
C24H28N2O2S
SMILES
CC1=CC(=CC(=C1)CN2C(=C(C(=O)NC2=O)C(C)C)SC3=CC(=CC(=C3)C)C)C
InChI
InChI=1S/C24H28N2O2S/c1-14(2)21-22(27)25-24(28)26(13-19-9-15(3)7-16(4)10-19)23(21)29-20-11-17(5)8-18(6)12-20/h7-12,14H,13H2,1-6H3,(H,25,27,28)
InChIKey
AJESKMYSVKTTMX-UHFFFAOYSA-N
Compound name
1-[(3,5-dimethylphenyl)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

8
Patents

408.18716 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.19444 198.8
[M+Na]+ 431.17638 209.1
[M-H]- 407.17988 205.7
[M+NH4]+ 426.22098 207.6
[M+K]+ 447.15032 200.8
[M+H-H2O]+ 391.18442 189.0
[M+HCOO]- 453.18536 211.4
[M+CH3COO]- 467.20101 227.3
[M+Na-2H]- 429.16183 194.4
[M]+ 408.18661 204.0
[M]- 408.18771 204.0
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

patents stripe