CID 3061994

80154-66-1

Structural Information

Molecular Formula
C16H21NS
SMILES
CCN(CC)C(CC1=CC=CC=C1)C2=CC=CS2
InChI
InChI=1S/C16H21NS/c1-3-17(4-2)15(16-11-8-12-18-16)13-14-9-6-5-7-10-14/h5-12,15H,3-4,13H2,1-2H3
InChIKey
JWOUEXGYPJLKNR-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-phenyl-1-thiophen-2-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.13947 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.146746 162.9
[M+Na]+ 282.128688 168.3
[M-H]- 258.132194 170.6
[M+NH4]+ 277.173293 182.2
[M+K]+ 298.102628 165.1
[M+H-H2O]+ 242.136730 155.4
[M+HCOO]- 304.137671 182.8
[M+CH3COO]- 318.153321 200.9
[M+Na-2H]- 280.114136 162.8
[M]+ 259.13892142 165.9
[M]- 259.14001858 165.9
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.