CID 3061999

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

Structural Information

Molecular Formula
C15H18ClNS
SMILES
CC(C)NC(CC1=CC(=CC=C1)Cl)C2=CC=CS2
InChI
InChI=1S/C15H18ClNS/c1-11(2)17-14(15-7-4-8-18-15)10-12-5-3-6-13(16)9-12/h3-9,11,14,17H,10H2,1-2H3
InChIKey
HMCJFTPKDRDVEC-UHFFFAOYSA-N
Compound name
N-[2-(3-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 165.0
[M+Na]+ 302.07406 171.9
[M-H]- 278.07756 171.8
[M+NH4]+ 297.11866 184.0
[M+K]+ 318.04800 166.2
[M+H-H2O]+ 262.08210 158.9
[M+HCOO]- 324.08304 179.1
[M+CH3COO]- 338.09869 200.0
[M+Na-2H]- 300.05951 163.9
[M]+ 279.08429 168.2
[M]- 279.08539 168.2
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.