CID 135434142

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

Structural Information

Molecular Formula
C9H9N5OS
SMILES
C1=CC=NC(=C1)SC2=C(N=C(NC2=O)N)N
InChI
InChI=1S/C9H9N5OS/c10-7-6(8(15)14-9(11)13-7)16-5-3-1-2-4-12-5/h1-4H,(H5,10,11,13,14,15)
InChIKey
OSDPLKAFUCDZLC-UHFFFAOYSA-N
Compound name
2,4-diamino-5-pyridin-2-ylsulfanyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.05278 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.06006 148.7
[M+Na]+ 258.04200 158.9
[M-H]- 234.04550 150.2
[M+NH4]+ 253.08660 161.5
[M+K]+ 274.01594 152.1
[M+H-H2O]+ 218.05004 140.4
[M+HCOO]- 280.05098 165.3
[M+CH3COO]- 294.06663 159.9
[M+Na-2H]- 256.02745 152.9
[M]+ 235.05223 146.4
[M]- 235.05333 146.4
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.