CID 3062005

80154-72-9

Structural Information

Molecular Formula
C16H20ClNS
SMILES
CCN(CC)C(CC1=CC=C(C=C1)Cl)C2=CC=CS2
InChI
InChI=1S/C16H20ClNS/c1-3-18(4-2)15(16-6-5-11-19-16)12-13-7-9-14(17)10-8-13/h5-11,15H,3-4,12H2,1-2H3
InChIKey
ZPGQXECIGWQOKJ-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-N,N-diethyl-1-thiophen-2-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1005 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.10778 169.9
[M+Na]+ 316.08972 176.8
[M-H]- 292.09322 177.9
[M+NH4]+ 311.13432 189.0
[M+K]+ 332.06366 171.8
[M+H-H2O]+ 276.09776 163.3
[M+HCOO]- 338.09870 185.1
[M+CH3COO]- 352.11435 205.6
[M+Na-2H]- 314.07517 168.6
[M]+ 293.09995 175.3
[M]- 293.10105 175.3
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.