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 170.2
[M+Na]+ 312.13924 176.0
[M-H]- 288.14274 177.3
[M+NH4]+ 307.18384 186.7
[M+K]+ 328.11318 172.6
[M+H-H2O]+ 272.14728 163.0
[M+HCOO]- 334.14822 188.8
[M+CH3COO]- 348.16387 203.4
[M+Na-2H]- 310.12469 170.6
[M]+ 289.14947 174.6
[M]- 289.15057 174.6
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.