CID 135402773

Thio-dabo 5t

Structural Information

Molecular Formula
C15H16Cl2N2OS
SMILES
CCCCSC1=NC(=CC(=O)N1)CC2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C15H16Cl2N2OS/c1-2-3-7-21-15-18-10(9-14(20)19-15)8-11-12(16)5-4-6-13(11)17/h4-6,9H,2-3,7-8H2,1H3,(H,18,19,20)
InChIKey
DSOGJOORAVXKBX-UHFFFAOYSA-N
Compound name
2-butylsulfanyl-4-[(2,6-dichlorophenyl)methyl]-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

342.03604 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.04332 171.1
[M+Na]+ 365.02526 181.7
[M-H]- 341.02876 173.7
[M+NH4]+ 360.06986 183.8
[M+K]+ 380.99920 173.0
[M+H-H2O]+ 325.03330 164.2
[M+HCOO]- 387.03424 176.6
[M+CH3COO]- 401.04989 205.3
[M+Na-2H]- 363.01071 171.3
[M]+ 342.03549 176.9
[M]- 342.03659 176.9
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.