CID 981064

305330-78-3

Structural Information

Molecular Formula
C22H24N2O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)CC3=CC=CC=C3)N4CCCCC4
InChI
InChI=1S/C22H24N2O3S/c1-17-10-12-19(13-11-17)28(25,26)21-22(24-14-6-3-7-15-24)27-20(23-21)16-18-8-4-2-5-9-18/h2,4-5,8-13H,3,6-7,14-16H2,1H3
InChIKey
JKMFZPVJDCJHLD-UHFFFAOYSA-N
Compound name
2-benzyl-4-(4-methylphenyl)sulfonyl-5-piperidin-1-yl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

396.15076 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.15804 194.5
[M+Na]+ 419.13998 201.3
[M-H]- 395.14348 205.1
[M+NH4]+ 414.18458 203.3
[M+K]+ 435.11392 196.4
[M+H-H2O]+ 379.14802 184.8
[M+HCOO]- 441.14896 206.7
[M+CH3COO]- 455.16461 203.6
[M+Na-2H]- 417.12543 194.0
[M]+ 396.15021 194.9
[M]- 396.15131 194.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.