CID 58015

Win 3502

Structural Information

Molecular Formula
C19H30N2O3
SMILES
CCCCOC1=C(C=CC(=C1)N)C(=O)OCCCN2CCCCC2
InChI
InChI=1S/C19H30N2O3/c1-2-3-13-23-18-15-16(20)8-9-17(18)19(22)24-14-7-12-21-10-5-4-6-11-21/h8-9,15H,2-7,10-14,20H2,1H3
InChIKey
PFAMXDMFQHEJHK-UHFFFAOYSA-N
Compound name
3-piperidin-1-ylpropyl 4-amino-2-butoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.22565 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.23293 183.7
[M+Na]+ 357.21487 185.7
[M-H]- 333.21837 186.6
[M+NH4]+ 352.25947 195.0
[M+K]+ 373.18881 182.4
[M+H-H2O]+ 317.22291 174.0
[M+HCOO]- 379.22385 200.9
[M+CH3COO]- 393.23950 212.8
[M+Na-2H]- 355.20032 182.9
[M]+ 334.22510 182.6
[M]- 334.22620 182.6
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

No patent data available for this compound.