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]+ 373.13288 183.9
[M+Na]+ 395.11482 198.5
[M+NH4]+ 390.15942 190.2
[M+K]+ 411.08876 192.2
[M-H]- 371.11832 188.4
[M+Na-2H]- 393.10027 191.1
[M]+ 372.12505 187.7
[M]- 372.12615 187.7
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.