CID 220690

4-(2-naphthylthioacetyl)morpholine

Structural Information

Molecular Formula
C16H17NOS
SMILES
C1COCCN1C(=S)CC2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C16H17NOS/c19-16(17-7-9-18-10-8-17)12-13-5-6-14-3-1-2-4-15(14)11-13/h1-6,11H,7-10,12H2
InChIKey
WZNVFYJKLFXPFP-UHFFFAOYSA-N
Compound name
1-morpholin-4-yl-2-naphthalen-2-ylethanethione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

271.1031 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.11038 159.9
[M+Na]+ 294.09232 174.0
[M+NH4]+ 289.13692 169.9
[M+K]+ 310.06626 163.9
[M-H]- 270.09582 166.4
[M+Na-2H]- 292.07777 167.3
[M]+ 271.10255 164.4
[M]- 271.10365 164.4
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

patents stripe