CID 3062037

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

Structural Information

Molecular Formula
C16H21NOS
SMILES
CC(C)NC(CC1=CC(=CC=C1)OC)C2=CC=CS2
InChI
InChI=1S/C16H21NOS/c1-12(2)17-15(16-8-5-9-19-16)11-13-6-4-7-14(10-13)18-3/h4-10,12,15,17H,11H2,1-3H3
InChIKey
VKKFYSRAZIRDPN-UHFFFAOYSA-N
Compound name
N-[2-(3-methoxyphenyl)-1-thiophen-2-ylethyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.1344 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.14168 166.0
[M+Na]+ 298.12362 171.6
[M-H]- 274.12712 172.7
[M+NH4]+ 293.16822 184.2
[M+K]+ 314.09756 168.0
[M+H-H2O]+ 258.13166 158.8
[M+HCOO]- 320.13260 184.6
[M+CH3COO]- 334.14825 201.3
[M+Na-2H]- 296.10907 165.0
[M]+ 275.13385 168.9
[M]- 275.13495 168.9
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.