CID 3062035

N-isopropyl-alpha-(p-methylbenzyl)-2-thenylamine hydrochloride

Structural Information

Molecular Formula
C16H21NS
SMILES
CC1=CC=C(C=C1)CC(C2=CC=CS2)NC(C)C
InChI
InChI=1S/C16H21NS/c1-12(2)17-15(16-5-4-10-18-16)11-14-8-6-13(3)7-9-14/h4-10,12,15,17H,11H2,1-3H3
InChIKey
ASZJNXKLIANFDK-UHFFFAOYSA-N
Compound name
N-[2-(4-methylphenyl)-1-thiophen-2-ylethyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.13947 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.14675 161.8
[M+Na]+ 282.12869 173.2
[M+NH4]+ 277.17329 171.4
[M+K]+ 298.10263 165.4
[M-H]- 258.13219 167.0
[M+Na-2H]- 280.11414 169.2
[M]+ 259.13892 165.4
[M]- 259.14002 165.4
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.