CID 135434141

2,4-diamino-5-(2,6-dichlorophenyl)sulfanyl-1h-pyrimidin-6-one

Structural Information

Molecular Formula
C10H8Cl2N4OS
SMILES
C1=CC(=C(C(=C1)Cl)SC2=C(N=C(NC2=O)N)N)Cl
InChI
InChI=1S/C10H8Cl2N4OS/c11-4-2-1-3-5(12)6(4)18-7-8(13)15-10(14)16-9(7)17/h1-3H,(H5,13,14,15,16,17)
InChIKey
JBFZICSUTGONJB-UHFFFAOYSA-N
Compound name
2,4-diamino-5-(2,6-dichlorophenyl)sulfanyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.97958 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.98686 160.3
[M+Na]+ 324.96880 172.1
[M-H]- 300.97230 162.8
[M+NH4]+ 320.01340 173.6
[M+K]+ 340.94274 163.5
[M+H-H2O]+ 284.97684 154.4
[M+HCOO]- 346.97778 168.0
[M+CH3COO]- 360.99343 171.1
[M+Na-2H]- 322.95425 161.3
[M]+ 301.97903 161.6
[M]- 301.98013 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.