CID 198837

3458-55-7

Structural Information

Molecular Formula
C13H11N3OS
SMILES
CS(=O)C1=CC=C(C=C1)C2=CN3C=CC=NC3=N2
InChI
InChI=1S/C13H11N3OS/c1-18(17)11-5-3-10(4-6-11)12-9-16-8-2-7-14-13(16)15-12/h2-9H,1H3
InChIKey
OITWISNIYRCMPO-UHFFFAOYSA-N
Compound name
2-(4-methylsulfinylphenyl)imidazo[1,2-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.0623 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.069576 154.6
[M+Na]+ 280.051518 166.8
[M-H]- 256.055024 159.7
[M+NH4]+ 275.096123 171.3
[M+K]+ 296.025458 161.5
[M+H-H2O]+ 240.059560 146.6
[M+HCOO]- 302.060501 172.0
[M+CH3COO]- 316.076151 167.6
[M+Na-2H]- 278.036966 158.8
[M]+ 257.06175142 159.3
[M]- 257.06284858 159.3
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.