CID 459652

N,n-diethyl-2-(2-quinolylsulfanyl)ethanamine

Structural Information

Molecular Formula
C15H20N2S
SMILES
CCN(CC)CCSC1=NC2=CC=CC=C2C=C1
InChI
InChI=1S/C15H20N2S/c1-3-17(4-2)11-12-18-15-10-9-13-7-5-6-8-14(13)16-15/h5-10H,3-4,11-12H2,1-2H3
InChIKey
FVJUUWFDIAGSPQ-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-quinolin-2-ylsulfanylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.1347 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.14198 158.8
[M+Na]+ 283.12392 165.6
[M-H]- 259.12742 162.8
[M+NH4]+ 278.16852 176.4
[M+K]+ 299.09786 161.7
[M+H-H2O]+ 243.13196 150.9
[M+HCOO]- 305.13290 176.3
[M+CH3COO]- 319.14855 202.5
[M+Na-2H]- 281.10937 163.3
[M]+ 260.13415 163.3
[M]- 260.13525 163.3
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.