CID 3087317

2-(1-piperidinyl)-1-(1-piperidinylmethyl)ethyl (2-(octyloxy)phenyl)carbamate dihydrochloride

Structural Information

Molecular Formula
C28H47N3O3
SMILES
CCCCCCCCOC1=CC=CC=C1NC(=O)OC(CN2CCCCC2)CN3CCCCC3
InChI
InChI=1S/C28H47N3O3/c1-2-3-4-5-6-15-22-33-27-17-10-9-16-26(27)29-28(32)34-25(23-30-18-11-7-12-19-30)24-31-20-13-8-14-21-31/h9-10,16-17,25H,2-8,11-15,18-24H2,1H3,(H,29,32)
InChIKey
QAGWXLWETGOVDU-UHFFFAOYSA-N
Compound name
1,3-di(piperidin-1-yl)propan-2-yl N-(2-octoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.36176 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.36904 221.5
[M+Na]+ 496.35098 216.2
[M-H]- 472.35448 223.6
[M+NH4]+ 491.39558 224.5
[M+K]+ 512.32492 211.7
[M+H-H2O]+ 456.35902 208.1
[M+HCOO]- 518.35996 230.7
[M+CH3COO]- 532.37561 238.5
[M+Na-2H]- 494.33643 216.5
[M]+ 473.36121 216.7
[M]- 473.36231 216.7
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.