CID 3062949

99507-50-3

Structural Information

Molecular Formula
C19H25NS
SMILES
CCN(CC)CCC(C1=CC=CC=C1)SC2=CC=CC=C2
InChI
InChI=1S/C19H25NS/c1-3-20(4-2)16-15-19(17-11-7-5-8-12-17)21-18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3
InChIKey
HLBMTBYWLKJCIH-UHFFFAOYSA-N
Compound name
N,N-diethyl-3-phenyl-3-phenylsulfanylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.17078 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.17806 172.7
[M+Na]+ 322.16000 176.5
[M-H]- 298.16350 179.6
[M+NH4]+ 317.20460 188.3
[M+K]+ 338.13394 172.2
[M+H-H2O]+ 282.16804 164.0
[M+HCOO]- 344.16898 190.7
[M+CH3COO]- 358.18463 209.8
[M+Na-2H]- 320.14545 173.8
[M]+ 299.17023 175.6
[M]- 299.17133 175.6
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.