CID 201131

3323-18-0

Structural Information

Molecular Formula
C19H21N3O3S
SMILES
CS(=O)(=O)C1=CC=C(C=C1)C2=C(N3C=CC=CC3=N2)CN4CCOCC4
InChI
InChI=1S/C19H21N3O3S/c1-26(23,24)16-7-5-15(6-8-16)19-17(14-21-10-12-25-13-11-21)22-9-3-2-4-18(22)20-19/h2-9H,10-14H2,1H3
InChIKey
YMABHLKEDWQFMN-UHFFFAOYSA-N
Compound name
4-[[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.13037 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.13765 186.8
[M+Na]+ 394.11959 196.0
[M-H]- 370.12309 194.5
[M+NH4]+ 389.16419 196.8
[M+K]+ 410.09353 191.2
[M+H-H2O]+ 354.12763 177.7
[M+HCOO]- 416.12857 198.5
[M+CH3COO]- 430.14422 196.7
[M+Na-2H]- 392.10504 189.3
[M]+ 371.12982 189.6
[M]- 371.13092 189.6
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

patents stripe