CID 3055303

72278-57-0

Structural Information

Molecular Formula
C18H23NO3S
SMILES
CC(CN1CCS(=O)(=O)CC1)C2=CC3=C(C=C2)C=C(C=C3)OC
InChI
InChI=1S/C18H23NO3S/c1-14(13-19-7-9-23(20,21)10-8-19)15-3-4-17-12-18(22-2)6-5-16(17)11-15/h3-6,11-12,14H,7-10,13H2,1-2H3
InChIKey
NJHZOYZJTWGSRU-UHFFFAOYSA-N
Compound name
4-[2-(6-methoxynaphthalen-2-yl)propyl]-1,4-thiazinane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

333.13986 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.147136 175.6
[M+Na]+ 356.129078 182.4
[M-H]- 332.132584 181.1
[M+NH4]+ 351.173683 191.3
[M+K]+ 372.103018 178.2
[M+H-H2O]+ 316.137120 167.5
[M+HCOO]- 378.138061 187.7
[M+CH3COO]- 392.153711 207.5
[M+Na-2H]- 354.114526 177.6
[M]+ 333.13931142 177.2
[M]- 333.14040858 177.2
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