CID 255711

Nsc81418

Structural Information

Molecular Formula
C15H17NOS
SMILES
C1COCCN1CC2=C(C=CC3=CC=CC=C32)S
InChI
InChI=1S/C15H17NOS/c18-15-6-5-12-3-1-2-4-13(12)14(15)11-16-7-9-17-10-8-16/h1-6,18H,7-11H2
InChIKey
LEZRHUSLRQYRPF-UHFFFAOYSA-N
Compound name
1-(morpholin-4-ylmethyl)naphthalene-2-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.1031 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.110376 156.0
[M+Na]+ 282.092318 163.0
[M-H]- 258.095824 162.2
[M+NH4]+ 277.136923 171.7
[M+K]+ 298.066258 159.5
[M+H-H2O]+ 242.100360 148.1
[M+HCOO]- 304.101301 168.9
[M+CH3COO]- 318.116951 167.3
[M+Na-2H]- 280.077766 160.3
[M]+ 259.10255142 155.5
[M]- 259.10364858 155.5
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.