CID 6483018

5-ethyl-4-(1-naphthylsulfanyl)-2-phenacylsulfanyl-1h-pyrimidin-6-one

Structural Information

Molecular Formula
C24H20N2O2S2
SMILES
CCC1=C(N=C(NC1=O)SCC(=O)C2=CC=CC=C2)SC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C24H20N2O2S2/c1-2-18-22(28)25-24(29-15-20(27)17-10-4-3-5-11-17)26-23(18)30-21-14-8-12-16-9-6-7-13-19(16)21/h3-14H,2,15H2,1H3,(H,25,26,28)
InChIKey
SJUPTBVXEJFKME-UHFFFAOYSA-N
Compound name
5-ethyl-4-naphthalen-1-ylsulfanyl-2-phenacylsulfanyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

432.09662 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.10390 197.9
[M+Na]+ 455.08584 206.4
[M-H]- 431.08934 203.7
[M+NH4]+ 450.13044 205.7
[M+K]+ 471.05978 196.4
[M+H-H2O]+ 415.09388 188.4
[M+HCOO]- 477.09482 205.6
[M+CH3COO]- 491.11047 205.6
[M+Na-2H]- 453.07129 199.1
[M]+ 432.09607 201.0
[M]- 432.09717 201.0
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.