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]+ 260.11038 156.0
[M+Na]+ 282.09232 163.0
[M-H]- 258.09582 162.2
[M+NH4]+ 277.13692 171.7
[M+K]+ 298.06626 159.5
[M+H-H2O]+ 242.10036 148.1
[M+HCOO]- 304.10130 168.9
[M+CH3COO]- 318.11695 167.3
[M+Na-2H]- 280.07777 160.3
[M]+ 259.10255 155.5
[M]- 259.10365 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.