CID 3087319

(3-(pentyloxy)phenyl)carbamic acid 2-(1-piperidinyl)-1-(1-piperidinylmethyl)ethyl ester hcl

Structural Information

Molecular Formula
C25H41N3O3
SMILES
CCCCCOC1=CC=CC(=C1)NC(=O)OC(CN2CCCCC2)CN3CCCCC3
InChI
InChI=1S/C25H41N3O3/c1-2-3-10-18-30-23-13-11-12-22(19-23)26-25(29)31-24(20-27-14-6-4-7-15-27)21-28-16-8-5-9-17-28/h11-13,19,24H,2-10,14-18,20-21H2,1H3,(H,26,29)
InChIKey
TZOXKFPOSPBVEI-UHFFFAOYSA-N
Compound name
1,3-di(piperidin-1-yl)propan-2-yl N-(3-pentoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.3148 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.32208 211.4
[M+Na]+ 454.30402 218.9
[M+NH4]+ 449.34862 216.4
[M+K]+ 470.27796 211.7
[M-H]- 430.30752 215.1
[M+Na-2H]- 452.28947 215.4
[M]+ 431.31425 213.0
[M]- 431.31535 213.0
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.