CID 32035

Brn 1384000

Structural Information

Molecular Formula
C17H23NOS
SMILES
CCSCC1=CC=C(O1)CNC(C)CC2=CC=CC=C2
InChI
InChI=1S/C17H23NOS/c1-3-20-13-17-10-9-16(19-17)12-18-14(2)11-15-7-5-4-6-8-15/h4-10,14,18H,3,11-13H2,1-2H3
InChIKey
RSGYZXDOXLWQTA-UHFFFAOYSA-N
Compound name
N-[[5-(ethylsulfanylmethyl)furan-2-yl]methyl]-1-phenylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.15002 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.15730 169.8
[M+Na]+ 312.13924 181.2
[M+NH4]+ 307.18384 178.7
[M+K]+ 328.11318 173.2
[M-H]- 288.14274 175.9
[M+Na-2H]- 310.12469 176.2
[M]+ 289.14947 173.7
[M]- 289.15057 173.7
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.