CID 59964

Pak 4227

Structural Information

Molecular Formula
C21H34N2O3
SMILES
CCCCCCCOC1=CC=CC=C1NC(=O)OC2CCN(CC2)CC
InChI
InChI=1S/C21H34N2O3/c1-3-5-6-7-10-17-25-20-12-9-8-11-19(20)22-21(24)26-18-13-15-23(4-2)16-14-18/h8-9,11-12,18H,3-7,10,13-17H2,1-2H3,(H,22,24)
InChIKey
AEBBYBFDITUGBD-UHFFFAOYSA-N
Compound name
(1-ethylpiperidin-4-yl) N-(2-heptoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.25696 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.26424 192.3
[M+Na]+ 385.24618 193.5
[M-H]- 361.24968 195.3
[M+NH4]+ 380.29078 202.8
[M+K]+ 401.22012 190.1
[M+H-H2O]+ 345.25422 182.1
[M+HCOO]- 407.25516 209.4
[M+CH3COO]- 421.27081 218.7
[M+Na-2H]- 383.23163 191.5
[M]+ 362.25641 192.8
[M]- 362.25751 192.8
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.