CID 3055302

4-(2-(6-methoxy-2-naphthalenyl)propyl)thiomorpholine 1-oxide hydrochloride

Structural Information

Molecular Formula
C18H23NO2S
SMILES
CC(CN1CCS(=O)CC1)C2=CC3=C(C=C2)C=C(C=C3)OC
InChI
InChI=1S/C18H23NO2S/c1-14(13-19-7-9-22(20)10-8-19)15-3-4-17-12-18(21-2)6-5-16(17)11-15/h3-6,11-12,14H,7-10,13H2,1-2H3
InChIKey
LDFKVQWZHAKNNI-UHFFFAOYSA-N
Compound name
4-[2-(6-methoxynaphthalen-2-yl)propyl]-1,4-thiazinane 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

317.14496 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.15224 172.7
[M+Na]+ 340.13418 178.6
[M-H]- 316.13768 178.0
[M+NH4]+ 335.17878 187.3
[M+K]+ 356.10812 173.9
[M+H-H2O]+ 300.14222 164.3
[M+HCOO]- 362.14316 184.5
[M+CH3COO]- 376.15881 206.6
[M+Na-2H]- 338.11963 173.2
[M]+ 317.14441 173.2
[M]- 317.14551 173.2
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