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 183.8
[M+Na]+ 384.12399 190.1
[M-H]- 360.12749 192.4
[M+NH4]+ 379.16859 193.9
[M+K]+ 400.09793 186.8
[M+H-H2O]+ 344.13203 174.6
[M+HCOO]- 406.13297 196.2
[M+CH3COO]- 420.14862 211.1
[M+Na-2H]- 382.10944 185.9
[M]+ 361.13422 185.9
[M]- 361.13532 185.9
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.