CID 79389

Nsc 3754

Structural Information

Molecular Formula
C16H17NOS
SMILES
C1COCCN1CC(=S)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C16H17NOS/c19-16(12-17-8-10-18-11-9-17)15-7-3-5-13-4-1-2-6-14(13)15/h1-7H,8-12H2
InChIKey
KNOXZDXUPYCGGF-UHFFFAOYSA-N
Compound name
2-morpholin-4-yl-1-naphthalen-1-ylethanethione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.1031 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.11038 159.7
[M+Na]+ 294.09232 173.8
[M+NH4]+ 289.13692 169.7
[M+K]+ 310.06626 163.7
[M-H]- 270.09582 166.2
[M+Na-2H]- 292.07777 167.2
[M]+ 271.10255 164.2
[M]- 271.10365 164.2
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

No patent data available for this compound.