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

7
Patents

408.18716 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.194436 198.8
[M+Na]+ 431.176378 209.1
[M-H]- 407.179884 205.7
[M+NH4]+ 426.220983 207.6
[M+K]+ 447.150318 200.8
[M+H-H2O]+ 391.184420 189.0
[M+HCOO]- 453.185361 211.4
[M+CH3COO]- 467.201011 227.3
[M+Na-2H]- 429.161826 194.4
[M]+ 408.18661142 204.0
[M]- 408.18770858 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