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]+ 262.126016 162.1
[M+Na]+ 284.107958 167.7
[M-H]- 260.111464 170.0
[M+NH4]+ 279.152563 181.3
[M+K]+ 300.081898 165.3
[M+H-H2O]+ 244.116000 154.6
[M+HCOO]- 306.116941 182.5
[M+CH3COO]- 320.132591 199.8
[M+Na-2H]- 282.093406 162.6
[M]+ 261.11819142 166.1
[M]- 261.11928858 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.