CID 45382

N,n-dimethyl-2-(phenyl-(2'-thienyl)methoxy)ethylamine hydrochloride

Structural Information

Molecular Formula
C15H19NOS
SMILES
CN(C)CCOC(C1=CC=CC=C1)C2=CC=CS2
InChI
InChI=1S/C15H19NOS/c1-16(2)10-11-17-15(14-9-6-12-18-14)13-7-4-3-5-8-13/h3-9,12,15H,10-11H2,1-2H3
InChIKey
NEWQCAXVLNWXKV-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[phenyl(thiophen-2-yl)methoxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.11874 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.12602 162.1
[M+Na]+ 284.10796 167.7
[M-H]- 260.11146 170.0
[M+NH4]+ 279.15256 181.3
[M+K]+ 300.08190 165.3
[M+H-H2O]+ 244.11600 154.6
[M+HCOO]- 306.11694 182.5
[M+CH3COO]- 320.13259 199.8
[M+Na-2H]- 282.09341 162.6
[M]+ 261.11819 166.1
[M]- 261.11929 166.1
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.