CID 32034

23656-76-0

Structural Information

Molecular Formula
C16H21NOS
SMILES
CC(CC1=CC=CC=C1)NCC2=CC=C(O2)CSC
InChI
InChI=1S/C16H21NOS/c1-13(10-14-6-4-3-5-7-14)17-11-15-8-9-16(18-15)12-19-2/h3-9,13,17H,10-12H2,1-2H3
InChIKey
JNOMFANVVIDVGS-UHFFFAOYSA-N
Compound name
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1-phenylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.1344 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.14168 165.8
[M+Na]+ 298.12362 171.9
[M-H]- 274.12712 173.0
[M+NH4]+ 293.16822 182.8
[M+K]+ 314.09756 168.8
[M+H-H2O]+ 258.13166 158.7
[M+HCOO]- 320.13260 184.6
[M+CH3COO]- 334.14825 200.4
[M+Na-2H]- 296.10907 166.6
[M]+ 275.13385 169.7
[M]- 275.13495 169.7
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.