CID 27242

M+b 5124

Structural Information

Molecular Formula
C22H29NO4
SMILES
CC(=O)OC(CCCCCCOC1=C(C=C(C=C1)N)OC)C2=CC=CC=C2
InChI
InChI=1S/C22H29NO4/c1-17(24)27-20(18-10-6-5-7-11-18)12-8-3-4-9-15-26-21-14-13-19(23)16-22(21)25-2/h5-7,10-11,13-14,16,20H,3-4,8-9,12,15,23H2,1-2H3
InChIKey
UUNNKIVLCFMKSR-UHFFFAOYSA-N
Compound name
[7-(4-amino-2-methoxyphenoxy)-1-phenylheptyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.20966 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.21694 192.8
[M+Na]+ 394.19888 203.6
[M+NH4]+ 389.24348 198.5
[M+K]+ 410.17282 196.6
[M-H]- 370.20238 196.0
[M+Na-2H]- 392.18433 198.4
[M]+ 371.20911 195.0
[M]- 371.21021 195.0
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.