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]+ 432.32208 209.2
[M+Na]+ 454.30402 205.3
[M-H]- 430.30752 212.0
[M+NH4]+ 449.34862 214.0
[M+K]+ 470.27796 201.4
[M+H-H2O]+ 414.31206 196.4
[M+HCOO]- 476.31300 219.5
[M+CH3COO]- 490.32865 229.8
[M+Na-2H]- 452.28947 205.7
[M]+ 431.31425 203.4
[M]- 431.31535 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