CID 135434155

2,4-diamino-5-[(3,4-dichlorophenyl)methylsulfanyl]-1h-pyrimidin-6-one

Structural Information

Molecular Formula
C11H10Cl2N4OS
SMILES
C1=CC(=C(C=C1CSC2=C(N=C(NC2=O)N)N)Cl)Cl
InChI
InChI=1S/C11H10Cl2N4OS/c12-6-2-1-5(3-7(6)13)4-19-8-9(14)16-11(15)17-10(8)18/h1-3H,4H2,(H5,14,15,16,17,18)
InChIKey
OSIZMOUCVDBECG-UHFFFAOYSA-N
Compound name
2,4-diamino-5-[(3,4-dichlorophenyl)methylsulfanyl]-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.99524 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.00252 164.4
[M+Na]+ 338.98446 175.8
[M-H]- 314.98796 166.8
[M+NH4]+ 334.02906 177.2
[M+K]+ 354.95840 167.0
[M+H-H2O]+ 298.99250 158.4
[M+HCOO]- 360.99344 171.9
[M+CH3COO]- 375.00909 174.9
[M+Na-2H]- 336.96991 165.0
[M]+ 315.99469 166.1
[M]- 315.99579 166.1
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.