CID 6483019

2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-5-ethyl-4-(1-naphthylsulfanyl)-1h-pyrimidin-6-one

Structural Information

Molecular Formula
C24H19ClN2O2S2
SMILES
CCC1=C(N=C(NC1=O)SCC(=O)C2=CC=C(C=C2)Cl)SC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C24H19ClN2O2S2/c1-2-18-22(29)26-24(30-14-20(28)16-10-12-17(25)13-11-16)27-23(18)31-21-9-5-7-15-6-3-4-8-19(15)21/h3-13H,2,14H2,1H3,(H,26,27,29)
InChIKey
YTHOHQPVUAPUCM-UHFFFAOYSA-N
Compound name
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-5-ethyl-4-naphthalen-1-ylsulfanyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

466.05765 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.06493 202.2
[M+Na]+ 489.04687 211.8
[M-H]- 465.05037 208.3
[M+NH4]+ 484.09147 209.8
[M+K]+ 505.02081 201.2
[M+H-H2O]+ 449.05491 193.6
[M+HCOO]- 511.05585 205.4
[M+CH3COO]- 525.07150 209.9
[M+Na-2H]- 487.03232 202.5
[M]+ 466.05710 207.9
[M]- 466.05820 207.9
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.