CID 218558

40798-77-4

Structural Information

Molecular Formula
C22H28N2O4S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2CCC(OC2C3=CC=CC=C3)CN4CCOCC4
InChI
InChI=1S/C22H28N2O4S/c1-18-7-9-21(10-8-18)29(25,26)24-12-11-20(17-23-13-15-27-16-14-23)28-22(24)19-5-3-2-4-6-19/h2-10,20,22H,11-17H2,1H3
InChIKey
DVDNCSRSYGBNTP-UHFFFAOYSA-N
Compound name
3-(4-methylphenyl)sulfonyl-6-(morpholin-4-ylmethyl)-2-phenyl-1,3-oxazinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.17697 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.18425 195.9
[M+Na]+ 439.16619 209.2
[M+NH4]+ 434.21079 202.5
[M+K]+ 455.14013 201.0
[M-H]- 415.16969 204.4
[M+Na-2H]- 437.15164 203.5
[M]+ 416.17642 200.8
[M]- 416.17752 200.8
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.