CID 3062006

80154-73-0

Structural Information

Molecular Formula
C19H18ClNS
SMILES
C1=CC=C(C=C1)CNC(CC2=CC=C(C=C2)Cl)C3=CC=CS3
InChI
InChI=1S/C19H18ClNS/c20-17-10-8-15(9-11-17)13-18(19-7-4-12-22-19)21-14-16-5-2-1-3-6-16/h1-12,18,21H,13-14H2
InChIKey
BYMAZHUWLAFXFI-UHFFFAOYSA-N
Compound name
N-benzyl-2-(4-chlorophenyl)-1-thiophen-2-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.08484 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.09212 176.4
[M+Na]+ 350.07406 183.5
[M-H]- 326.07756 185.9
[M+NH4]+ 345.11866 193.0
[M+K]+ 366.04800 175.9
[M+H-H2O]+ 310.08210 169.0
[M+HCOO]- 372.08304 191.8
[M+CH3COO]- 386.09869 187.5
[M+Na-2H]- 348.05951 176.8
[M]+ 327.08429 179.3
[M]- 327.08539 179.3
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.