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 190.5
[M+Na]+ 391.19922 192.3
[M-H]- 367.20272 196.4
[M+NH4]+ 386.24382 199.7
[M+K]+ 407.17316 187.8
[M+H-H2O]+ 351.20726 179.3
[M+HCOO]- 413.20820 207.9
[M+CH3COO]- 427.22385 217.7
[M+Na-2H]- 389.18467 190.7
[M]+ 368.20945 187.6
[M]- 368.21055 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