CID 218606

40930-35-6

Structural Information

Molecular Formula
C19H23NO4S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2CCC(OC2C3=CC=CC=C3)COC
InChI
InChI=1S/C19H23NO4S/c1-15-8-10-18(11-9-15)25(21,22)20-13-12-17(14-23-2)24-19(20)16-6-4-3-5-7-16/h3-11,17,19H,12-14H2,1-2H3
InChIKey
HKGYGXXBCOIDHR-UHFFFAOYSA-N
Compound name
6-(methoxymethyl)-3-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.13477 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.14205 182.7
[M+Na]+ 384.12399 196.3
[M+NH4]+ 379.16859 189.8
[M+K]+ 400.09793 187.9
[M-H]- 360.12749 188.6
[M+Na-2H]- 382.10944 190.4
[M]+ 361.13422 186.9
[M]- 361.13532 186.9
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.