CID 3021535

89665-77-0

Structural Information

Molecular Formula
C11H10ClN3OS
SMILES
C1=CC(=CC(=C1)Cl)NCC2=CNC(=S)NC2=O
InChI
InChI=1S/C11H10ClN3OS/c12-8-2-1-3-9(4-8)13-5-7-6-14-11(17)15-10(7)16/h1-4,6,13H,5H2,(H2,14,15,16,17)
InChIKey
POZYFYKORAUHPW-UHFFFAOYSA-N
Compound name
5-[(3-chloroanilino)methyl]-2-sulfanylidene-1H-pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.02332 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.03060 155.7
[M+Na]+ 290.01254 170.4
[M+NH4]+ 285.05714 163.3
[M+K]+ 305.98648 160.8
[M-H]- 266.01604 158.8
[M+Na-2H]- 287.99799 163.5
[M]+ 267.02277 159.3
[M]- 267.02387 159.3
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.