CID 10560946

211244-82-5

Structural Information

Molecular Formula
C10H11N3OS
SMILES
CCN1C(=O)C=CC2=CN=C(N=C21)SC
InChI
InChI=1S/C10H11N3OS/c1-3-13-8(14)5-4-7-6-11-10(15-2)12-9(7)13/h4-6H,3H2,1-2H3
InChIKey
RNYUFDKLBWLNCR-UHFFFAOYSA-N
Compound name
8-ethyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

221.06229 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.069566 145.3
[M+Na]+ 244.051508 157.3
[M-H]- 220.055014 146.7
[M+NH4]+ 239.096113 162.1
[M+K]+ 260.025448 152.7
[M+H-H2O]+ 204.059550 137.9
[M+HCOO]- 266.060491 160.8
[M+CH3COO]- 280.076141 158.2
[M+Na-2H]- 242.036956 150.9
[M]+ 221.06174142 150.0
[M]- 221.06283858 150.0
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

patents stripe