CID 3042454

N-114

Structural Information

Molecular Formula
C22H36N2O3
SMILES
CCCCCOC1=CC=CC(=C1)N(CCC)C(=O)OCCN2CCCCC2
InChI
InChI=1S/C22H36N2O3/c1-3-5-9-17-26-21-12-10-11-20(19-21)24(13-4-2)22(25)27-18-16-23-14-7-6-8-15-23/h10-12,19H,3-9,13-18H2,1-2H3
InChIKey
HKJPCHLEMSAXJU-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylethyl N-(3-pentoxyphenyl)-N-propylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.27258 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.279856 196.9
[M+Na]+ 399.261798 196.9
[M-H]- 375.265304 200.8
[M+NH4]+ 394.306403 207.1
[M+K]+ 415.235738 194.6
[M+H-H2O]+ 359.269840 186.2
[M+HCOO]- 421.270781 214.2
[M+CH3COO]- 435.286431 223.7
[M+Na-2H]- 397.247246 195.6
[M]+ 376.27203142 198.6
[M]- 376.27312858 198.6
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.