CID 2562097

852404-79-6

Structural Information

Molecular Formula
C15H19NO2S
SMILES
CCNCC1=CC(=C(C=C1)OCC2=CC=CS2)OC
InChI
InChI=1S/C15H19NO2S/c1-3-16-10-12-6-7-14(15(9-12)17-2)18-11-13-5-4-8-19-13/h4-9,16H,3,10-11H2,1-2H3
InChIKey
JFNCOWKYYLAPPG-UHFFFAOYSA-N
Compound name
N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.11365 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.12093 163.3
[M+Na]+ 300.10287 170.7
[M-H]- 276.10637 170.3
[M+NH4]+ 295.14747 181.8
[M+K]+ 316.07681 166.8
[M+H-H2O]+ 260.11091 156.1
[M+HCOO]- 322.11185 184.5
[M+CH3COO]- 336.12750 199.8
[M+Na-2H]- 298.08832 164.5
[M]+ 277.11310 168.8
[M]- 277.11420 168.8
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.