CID 3062003

Alpha-(p-chlorobenzyl)-n-isopropyl-2-thenylamine hydrochloride

Structural Information

Molecular Formula
C15H18ClNS
SMILES
CC(C)NC(CC1=CC=C(C=C1)Cl)C2=CC=CS2
InChI
InChI=1S/C15H18ClNS/c1-11(2)17-14(15-4-3-9-18-15)10-12-5-7-13(16)8-6-12/h3-9,11,14,17H,10H2,1-2H3
InChIKey
YUKYSHLDGQFGIN-UHFFFAOYSA-N
Compound name
N-[2-(4-chlorophenyl)-1-thiophen-2-ylethyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.08484 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.09212 164.4
[M+Na]+ 302.07406 176.8
[M+NH4]+ 297.11866 174.4
[M+K]+ 318.04800 168.3
[M-H]- 278.07756 169.6
[M+Na-2H]- 300.05951 172.0
[M]+ 279.08429 168.5
[M]- 279.08539 168.5
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.