CID 203860

3-methoxy-4-(1-phenoxyethoxy)aniline

Structural Information

Molecular Formula
C15H17NO3
SMILES
CC(OC1=CC=CC=C1)OC2=C(C=C(C=C2)N)OC
InChI
InChI=1S/C15H17NO3/c1-11(18-13-6-4-3-5-7-13)19-14-9-8-12(16)10-15(14)17-2/h3-11H,16H2,1-2H3
InChIKey
FDMDFGIHEKPQTE-UHFFFAOYSA-N
Compound name
3-methoxy-4-(1-phenoxyethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.12085 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.128126 158.8
[M+Na]+ 282.110068 165.4
[M-H]- 258.113574 165.2
[M+NH4]+ 277.154673 174.9
[M+K]+ 298.084008 163.2
[M+H-H2O]+ 242.118110 150.8
[M+HCOO]- 304.119051 182.9
[M+CH3COO]- 318.134701 198.6
[M+Na-2H]- 280.095516 163.0
[M]+ 259.12030142 160.9
[M]- 259.12139858 160.9
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.