CID 39210

42438-19-7

Structural Information

Molecular Formula
C21H34N2O3
SMILES
CCCCCCOC1=CC=C(C=C1)NC(=O)OC(C)CN2CCCCC2
InChI
InChI=1S/C21H34N2O3/c1-3-4-5-9-16-25-20-12-10-19(11-13-20)22-21(24)26-18(2)17-23-14-7-6-8-15-23/h10-13,18H,3-9,14-17H2,1-2H3,(H,22,24)
InChIKey
MXXJXDHWCLQMOE-UHFFFAOYSA-N
Compound name
1-piperidin-1-ylpropan-2-yl N-(4-hexoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

362.25696 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.26424 192.4
[M+Na]+ 385.24618 192.4
[M-H]- 361.24968 195.2
[M+NH4]+ 380.29078 202.5
[M+K]+ 401.22012 189.5
[M+H-H2O]+ 345.25422 182.2
[M+HCOO]- 407.25516 208.6
[M+CH3COO]- 421.27081 218.3
[M+Na-2H]- 383.23163 191.2
[M]+ 362.25641 191.9
[M]- 362.25751 191.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.