CID 478085

284682-04-8

Structural Information

Molecular Formula
C18H18N2OS2
SMILES
CCCCSC1=NC(=CC(=O)N1)SC2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C18H18N2OS2/c1-2-3-10-22-18-19-16(21)12-17(20-18)23-15-9-8-13-6-4-5-7-14(13)11-15/h4-9,11-12H,2-3,10H2,1H3,(H,19,20,21)
InChIKey
HVAKGGIWMKCQDI-UHFFFAOYSA-N
Compound name
2-butylsulfanyl-4-naphthalen-2-ylsulfanyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

342.08606 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.09334 173.3
[M+Na]+ 365.07528 182.8
[M-H]- 341.07878 176.5
[M+NH4]+ 360.11988 185.6
[M+K]+ 381.04922 173.8
[M+H-H2O]+ 325.08332 165.4
[M+HCOO]- 387.08426 182.3
[M+CH3COO]- 401.09991 182.9
[M+Na-2H]- 363.06073 175.9
[M]+ 342.08551 176.7
[M]- 342.08661 176.7
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.