CID 27241

15382-89-5

Structural Information

Molecular Formula
C20H25NO4
SMILES
CC(=O)OC(CCCCOC1=C(C=C(C=C1)N)OC)C2=CC=CC=C2
InChI
InChI=1S/C20H25NO4/c1-15(22)25-18(16-8-4-3-5-9-16)10-6-7-13-24-19-12-11-17(21)14-20(19)23-2/h3-5,8-9,11-12,14,18H,6-7,10,13,21H2,1-2H3
InChIKey
XGBKDGNFNMLQKG-UHFFFAOYSA-N
Compound name
[5-(4-amino-2-methoxyphenoxy)-1-phenylpentyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.17834 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.18562 183.8
[M+Na]+ 366.16756 195.1
[M+NH4]+ 361.21216 189.9
[M+K]+ 382.14150 188.6
[M-H]- 342.17106 187.2
[M+Na-2H]- 364.15301 190.0
[M]+ 343.17779 186.2
[M]- 343.17889 186.2
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.