CID 27239

15382-87-3

Structural Information

Molecular Formula
C16H19NO3
SMILES
COC1=C(C=CC(=C1)N)OCCCOC2=CC=CC=C2
InChI
InChI=1S/C16H19NO3/c1-18-16-12-13(17)8-9-15(16)20-11-5-10-19-14-6-3-2-4-7-14/h2-4,6-9,12H,5,10-11,17H2,1H3
InChIKey
URWUONAQAFAJNW-UHFFFAOYSA-N
Compound name
3-methoxy-4-(3-phenoxypropoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.1365 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.14378 163.8
[M+Na]+ 296.12572 177.2
[M+NH4]+ 291.17032 171.8
[M+K]+ 312.09966 169.4
[M-H]- 272.12922 168.6
[M+Na-2H]- 294.11117 172.4
[M]+ 273.13595 167.1
[M]- 273.13705 167.1
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.