CID 201227

3415-13-2

Structural Information

Molecular Formula
C18H20N4O2S
SMILES
CS(=O)C1=CC=C(C=C1)C2=C(N3C=CC=NC3=N2)CN4CCOCC4
InChI
InChI=1S/C18H20N4O2S/c1-25(23)15-5-3-14(4-6-15)17-16(13-21-9-11-24-12-10-21)22-8-2-7-19-18(22)20-17/h2-8H,9-13H2,1H3
InChIKey
QONPJHICNATGDA-UHFFFAOYSA-N
Compound name
4-[[2-(4-methylsulfinylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.1307 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.13798 181.7
[M+Na]+ 379.11992 190.7
[M-H]- 355.12342 187.9
[M+NH4]+ 374.16452 190.9
[M+K]+ 395.09386 185.7
[M+H-H2O]+ 339.12796 171.6
[M+HCOO]- 401.12890 192.6
[M+CH3COO]- 415.14455 191.2
[M+Na-2H]- 377.10537 182.4
[M]+ 356.13015 183.9
[M]- 356.13125 183.9
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.