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]+ 260.14675 162.9
[M+Na]+ 282.12869 168.3
[M-H]- 258.13219 170.6
[M+NH4]+ 277.17329 182.2
[M+K]+ 298.10263 165.1
[M+H-H2O]+ 242.13673 155.4
[M+HCOO]- 304.13767 182.8
[M+CH3COO]- 318.15332 200.9
[M+Na-2H]- 280.11414 162.8
[M]+ 259.13892 165.9
[M]- 259.14002 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.