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

2
Patents

333.13986 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.14714 175.6
[M+Na]+ 356.12908 182.4
[M-H]- 332.13258 181.1
[M+NH4]+ 351.17368 191.3
[M+K]+ 372.10302 178.2
[M+H-H2O]+ 316.13712 167.5
[M+HCOO]- 378.13806 187.7
[M+CH3COO]- 392.15371 207.5
[M+Na-2H]- 354.11453 177.6
[M]+ 333.13931 177.2
[M]- 333.14041 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