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 159.6
[M+Na]+ 294.09232 165.3
[M-H]- 270.09582 165.4
[M+NH4]+ 289.13692 174.4
[M+K]+ 310.06626 161.4
[M+H-H2O]+ 254.10036 151.6
[M+HCOO]- 316.10130 171.3
[M+CH3COO]- 330.11695 170.1
[M+Na-2H]- 292.07777 163.1
[M]+ 271.10255 157.8
[M]- 271.10365 157.8
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.