CID 3043271

55301-99-0

Structural Information

Molecular Formula
C16H19NS
SMILES
CCNCC1=CC=C(C=C1)SCC2=CC=CC=C2
InChI
InChI=1S/C16H19NS/c1-2-17-12-14-8-10-16(11-9-14)18-13-15-6-4-3-5-7-15/h3-11,17H,2,12-13H2,1H3
InChIKey
WZLYYUVKMOKFPU-UHFFFAOYSA-N
Compound name
N-[(4-benzylsulfanylphenyl)methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.1238 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.13108 158.9
[M+Na]+ 280.11302 173.1
[M+NH4]+ 275.15762 169.1
[M+K]+ 296.08696 161.4
[M-H]- 256.11652 165.5
[M+Na-2H]- 278.09847 168.9
[M]+ 257.12325 163.5
[M]- 257.12435 163.5
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.