CID 3087311

Carbamic acid, (2-(pentyloxy)phenyl)-, 2-(1-piperidinyl)-1-(1-piperidinylmethyl)ethyl ester, dihydrochloride

Structural Information

Molecular Formula
C25H41N3O3
SMILES
CCCCCOC1=CC=CC=C1NC(=O)OC(CN2CCCCC2)CN3CCCCC3
InChI
InChI=1S/C25H41N3O3/c1-2-3-12-19-30-24-14-7-6-13-23(24)26-25(29)31-22(20-27-15-8-4-9-16-27)21-28-17-10-5-11-18-28/h6-7,13-14,22H,2-5,8-12,15-21H2,1H3,(H,26,29)
InChIKey
LDZAMDIMFYHEHE-UHFFFAOYSA-N
Compound name
1,3-di(piperidin-1-yl)propan-2-yl N-(2-pentoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

431.3148 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.322076 209.2
[M+Na]+ 454.304018 205.3
[M-H]- 430.307524 212.0
[M+NH4]+ 449.348623 214.0
[M+K]+ 470.277958 201.4
[M+H-H2O]+ 414.312060 196.4
[M+HCOO]- 476.313001 219.5
[M+CH3COO]- 490.328651 229.8
[M+Na-2H]- 452.289466 205.7
[M]+ 431.31425142 203.4
[M]- 431.31534858 203.4
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