CID 45106207

2-(methylsulfanyl)-5h,6h-pyrido[4,3-d]pyrimidin-5-one

Structural Information

Molecular Formula
C8H7N3OS
SMILES
CSC1=NC=C2C(=N1)C=CNC2=O
InChI
InChI=1S/C8H7N3OS/c1-13-8-10-4-5-6(11-8)2-3-9-7(5)12/h2-4H,1H3,(H,9,12)
InChIKey
XOFAOHNADNLNSI-UHFFFAOYSA-N
Compound name
2-methylsulfanyl-6H-pyrido[4,3-d]pyrimidin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

68
Patents

193.03099 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.038266 136.6
[M+Na]+ 216.020208 148.2
[M-H]- 192.023714 136.6
[M+NH4]+ 211.064813 153.5
[M+K]+ 231.994148 143.1
[M+H-H2O]+ 176.028250 129.7
[M+HCOO]- 238.029191 151.3
[M+CH3COO]- 252.044841 149.3
[M+Na-2H]- 214.005656 143.5
[M]+ 193.03044142 138.4
[M]- 193.03153858 138.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe