CID 104407

53077-21-7

Structural Information

Molecular Formula
C17H19NO2S
SMILES
COC1=CC2=C(C=C1)C=C(C=C2)CC(=S)N3CCOCC3
InChI
InChI=1S/C17H19NO2S/c1-19-16-5-4-14-10-13(2-3-15(14)12-16)11-17(21)18-6-8-20-9-7-18/h2-5,10,12H,6-9,11H2,1H3
InChIKey
ZUOMFDWEUYBZOW-UHFFFAOYSA-N
Compound name
2-(6-methoxynaphthalen-2-yl)-1-morpholin-4-ylethanethione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.11365 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.12093 168.1
[M+Na]+ 324.10287 174.0
[M-H]- 300.10637 174.1
[M+NH4]+ 319.14747 181.9
[M+K]+ 340.07681 170.6
[M+H-H2O]+ 284.11091 159.9
[M+HCOO]- 346.11185 179.6
[M+CH3COO]- 360.12750 178.3
[M+Na-2H]- 322.08832 170.4
[M]+ 301.11310 168.3
[M]- 301.11420 168.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.