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]+ 369.217276 190.5
[M+Na]+ 391.199218 192.3
[M-H]- 367.202724 196.4
[M+NH4]+ 386.243823 199.7
[M+K]+ 407.173158 187.8
[M+H-H2O]+ 351.207260 179.3
[M+HCOO]- 413.208201 207.9
[M+CH3COO]- 427.223851 217.7
[M+Na-2H]- 389.184666 190.7
[M]+ 368.20945142 187.6
[M]- 368.21054858 187.6
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

patents stripe