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

1
Patents

177.03607 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.04335 134.5
[M+Na]+ 200.02529 149.7
[M+NH4]+ 195.06989 143.4
[M+K]+ 215.99923 140.5
[M-H]- 176.02879 136.1
[M+Na-2H]- 198.01074 141.5
[M]+ 177.03552 137.6
[M]- 177.03662 137.6
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