CID 167715888

5-amino-6-chloro-2-(propylsulfanyl)pyrimidin-4-ol

Structural Information

Molecular Formula
C7H10ClN3OS
SMILES
CCCSC1=NC(=C(C(=O)N1)N)Cl
InChI
InChI=1S/C7H10ClN3OS/c1-2-3-13-7-10-5(8)4(9)6(12)11-7/h2-3,9H2,1H3,(H,10,11,12)
InChIKey
QHDBADQRGXYPKA-UHFFFAOYSA-N
Compound name
5-amino-4-chloro-2-propylsulfanyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.02332 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.03060 142.1
[M+Na]+ 242.01254 152.8
[M-H]- 218.01604 142.1
[M+NH4]+ 237.05714 158.8
[M+K]+ 257.98648 146.7
[M+H-H2O]+ 202.02058 136.5
[M+HCOO]- 264.02152 154.0
[M+CH3COO]- 278.03717 184.6
[M+Na-2H]- 239.99799 144.3
[M]+ 219.02277 144.3
[M]- 219.02387 144.3
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.