CID 199212

3851-21-6

Structural Information

Molecular Formula
C18H20N4O3S
SMILES
CS(=O)(=O)C1=CC=C(C=C1)C2=C(N3C=CC=NC3=N2)CN4CCOCC4
InChI
InChI=1S/C18H20N4O3S/c1-26(23,24)15-5-3-14(4-6-15)17-16(13-21-9-11-25-12-10-21)22-8-2-7-19-18(22)20-17/h2-8H,9-13H2,1H3
InChIKey
MYRSJMRAURRXBS-UHFFFAOYSA-N
Compound name
4-[[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.1256 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.132876 187.0
[M+Na]+ 395.114818 196.5
[M-H]- 371.118324 193.4
[M+NH4]+ 390.159423 195.5
[M+K]+ 411.088758 191.7
[M+H-H2O]+ 355.122860 177.3
[M+HCOO]- 417.123801 197.6
[M+CH3COO]- 431.139451 196.4
[M+Na-2H]- 393.100266 189.7
[M]+ 372.12505142 189.8
[M]- 372.12614858 189.8
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.