CID 51022

M.g. 18245

Structural Information

Molecular Formula
C19H25NO4
SMILES
COC1=CC=CC=C1OCCOCCOCCNC2=CC=CC=C2
InChI
InChI=1S/C19H25NO4/c1-21-18-9-5-6-10-19(18)24-16-15-23-14-13-22-12-11-20-17-7-3-2-4-8-17/h2-10,20H,11-16H2,1H3
InChIKey
YESCLENDVILJJW-UHFFFAOYSA-N
Compound name
N-[2-[2-[2-(2-methoxyphenoxy)ethoxy]ethoxy]ethyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.17834 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.185616 178.4
[M+Na]+ 354.167558 182.3
[M-H]- 330.171064 183.9
[M+NH4]+ 349.212163 191.3
[M+K]+ 370.141498 179.6
[M+H-H2O]+ 314.175600 168.7
[M+HCOO]- 376.176541 202.8
[M+CH3COO]- 390.192191 211.1
[M+Na-2H]- 352.153006 183.5
[M]+ 331.17779142 184.4
[M]- 331.17888858 184.4
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.