CID 125515236

2-methylpyrido[2,3-d]pyrimidine-4-thiol

Structural Information

Molecular Formula
C8H7N3S
SMILES
CC1=NC(=S)C2=C(N1)N=CC=C2
InChI
InChI=1S/C8H7N3S/c1-5-10-7-6(8(12)11-5)3-2-4-9-7/h2-4H,1H3,(H,9,10,11,12)
InChIKey
DMOMUMGACCNOAF-UHFFFAOYSA-N
Compound name
2-methyl-1H-pyrido[2,3-d]pyrimidine-4-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

177.03607 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.043346 133.1
[M+Na]+ 200.025288 144.9
[M-H]- 176.028794 133.1
[M+NH4]+ 195.069893 150.8
[M+K]+ 215.999228 139.3
[M+H-H2O]+ 160.033330 126.4
[M+HCOO]- 222.034271 147.6
[M+CH3COO]- 236.049921 146.0
[M+Na-2H]- 198.010736 140.0
[M]+ 177.03552142 133.5
[M]- 177.03661858 133.5
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