CID 16227627

3-ethyl-2-sulfanyl-3h,4h-pyrido[2,3-d]pyrimidin-4-one

Structural Information

Molecular Formula
C9H9N3OS
SMILES
CCN1C(=O)C2=C(NC1=S)N=CC=C2
InChI
InChI=1S/C9H9N3OS/c1-2-12-8(13)6-4-3-5-10-7(6)11-9(12)14/h3-5H,2H2,1H3,(H,10,11,14)
InChIKey
UVAOLWHLRUPPKX-UHFFFAOYSA-N
Compound name
3-ethyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.04663 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.05391 141.0
[M+Na]+ 230.03585 153.2
[M-H]- 206.03935 141.2
[M+NH4]+ 225.08045 157.6
[M+K]+ 246.00979 147.3
[M+H-H2O]+ 190.04389 134.1
[M+HCOO]- 252.04483 155.4
[M+CH3COO]- 266.06048 153.6
[M+Na-2H]- 228.02130 146.5
[M]+ 207.04608 142.8
[M]- 207.04718 142.8
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.