CID 57826

Win 3503

Structural Information

Molecular Formula
C22H28N2O3
SMILES
C1CCN(CC1)CCCOC(=O)C2=C(C=C(C=C2)N)OCC3=CC=CC=C3
InChI
InChI=1S/C22H28N2O3/c23-19-10-11-20(21(16-19)27-17-18-8-3-1-4-9-18)22(25)26-15-7-14-24-12-5-2-6-13-24/h1,3-4,8-11,16H,2,5-7,12-15,17,23H2
InChIKey
RYIHBLMVAOIQFY-UHFFFAOYSA-N
Compound name
3-piperidin-1-ylpropyl 4-amino-2-phenylmethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.21 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.21728 192.2
[M+Na]+ 391.19922 203.8
[M+NH4]+ 386.24382 198.8
[M+K]+ 407.17316 195.9
[M-H]- 367.20272 197.6
[M+Na-2H]- 389.18467 199.7
[M]+ 368.20945 195.2
[M]- 368.21055 195.2
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.