CID 5744392

Win 2556

Structural Information

Molecular Formula
C19H30N2O3
SMILES
CCCCNC1=CC(=C(C=C1)C(=O)OCCCN2CCCCC2)O
InChI
InChI=1S/C19H30N2O3/c1-2-3-10-20-16-8-9-17(18(22)15-16)19(23)24-14-7-13-21-11-5-4-6-12-21/h8-9,15,20,22H,2-7,10-14H2,1H3
InChIKey
WRIORSRWQPRAAW-UHFFFAOYSA-N
Compound name
3-piperidin-1-ylpropyl 4-(butylamino)-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.22565 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.23293 183.2
[M+Na]+ 357.21487 184.8
[M-H]- 333.21837 185.2
[M+NH4]+ 352.25947 194.1
[M+K]+ 373.18881 181.0
[M+H-H2O]+ 317.22291 173.7
[M+HCOO]- 379.22385 199.5
[M+CH3COO]- 393.23950 211.0
[M+Na-2H]- 355.20032 183.1
[M]+ 334.22510 181.3
[M]- 334.22620 181.3
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