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 133.1
[M+Na]+ 200.02529 144.9
[M-H]- 176.02879 133.1
[M+NH4]+ 195.06989 150.8
[M+K]+ 215.99923 139.3
[M+H-H2O]+ 160.03333 126.4
[M+HCOO]- 222.03427 147.6
[M+CH3COO]- 236.04992 146.0
[M+Na-2H]- 198.01074 140.0
[M]+ 177.03552 133.5
[M]- 177.03662 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