CID 3021382

Brn 4467885

Structural Information

Molecular Formula
C12H11ClN2OS
SMILES
CC1=C(C=C(C=C1)Cl)N2C(=O)C=CN=C2SC
InChI
InChI=1S/C12H11ClN2OS/c1-8-3-4-9(13)7-10(8)15-11(16)5-6-14-12(15)17-2/h3-7H,1-2H3
InChIKey
OUGOGFFZRZJMNH-UHFFFAOYSA-N
Compound name
3-(5-chloro-2-methylphenyl)-2-methylsulfanylpyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.02808 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.03536 156.9
[M+Na]+ 289.01730 174.2
[M+NH4]+ 284.06190 166.0
[M+K]+ 304.99124 163.5
[M-H]- 265.02080 161.1
[M+Na-2H]- 287.00275 165.8
[M]+ 266.02753 161.6
[M]- 266.02863 161.6
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

No patent data available for this compound.