CID 3074867

165611-02-9

Structural Information

Molecular Formula
C14H12N4O2S
SMILES
CSCC1=NC2=C(C(=N1)C3=CC=CC=C3)ON=C2C(=O)N
InChI
InChI=1S/C14H12N4O2S/c1-21-7-9-16-10(8-5-3-2-4-6-8)13-11(17-9)12(14(15)19)18-20-13/h2-6H,7H2,1H3,(H2,15,19)
InChIKey
AFUHCNSFLIYTIS-UHFFFAOYSA-N
Compound name
5-(methylsulfanylmethyl)-7-phenyl-[1,2]oxazolo[4,5-d]pyrimidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.06808 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.075356 166.5
[M+Na]+ 323.057298 178.1
[M-H]- 299.060804 171.9
[M+NH4]+ 318.101903 179.6
[M+K]+ 339.031238 173.6
[M+H-H2O]+ 283.065340 158.3
[M+HCOO]- 345.066281 183.3
[M+CH3COO]- 359.081931 178.5
[M+Na-2H]- 321.042746 169.9
[M]+ 300.06753142 172.1
[M]- 300.06862858 172.1
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.