CID 3062029

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

Structural Information

Molecular Formula
C16H21NS
SMILES
CC1=CC(=CC=C1)CC(C2=CC=CS2)NC(C)C
InChI
InChI=1S/C16H21NS/c1-12(2)17-15(16-8-5-9-18-16)11-14-7-4-6-13(3)10-14/h4-10,12,15,17H,11H2,1-3H3
InChIKey
KIDANYZLURUVMH-UHFFFAOYSA-N
Compound name
N-[2-(3-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 162.3
[M+Na]+ 282.12869 168.1
[M-H]- 258.13219 169.0
[M+NH4]+ 277.17329 181.2
[M+K]+ 298.10263 164.0
[M+H-H2O]+ 242.13673 155.3
[M+HCOO]- 304.13767 180.6
[M+CH3COO]- 318.15332 199.3
[M+Na-2H]- 280.11414 161.2
[M]+ 259.13892 163.8
[M]- 259.14002 163.8
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.