CID 3062012

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

Structural Information

Molecular Formula
C15H18BrNS
SMILES
CC(C)NC(CC1=CC=C(C=C1)Br)C2=CC=CS2
InChI
InChI=1S/C15H18BrNS/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
WDHDFDHEDNOBIP-UHFFFAOYSA-N
Compound name
N-[2-(4-bromophenyl)-1-thiophen-2-ylethyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.03433 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.04161 164.6
[M+Na]+ 346.02355 174.3
[M-H]- 322.02705 173.8
[M+NH4]+ 341.06815 184.7
[M+K]+ 361.99749 161.8
[M+H-H2O]+ 306.03159 163.8
[M+HCOO]- 368.03253 181.2
[M+CH3COO]- 382.04818 205.2
[M+Na-2H]- 344.00900 165.8
[M]+ 323.03378 184.3
[M]- 323.03488 184.3
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.