CID 41615

55792-23-9

Structural Information

Molecular Formula
C21H34N2O3
SMILES
CCCCCCCOC1=CC=C(C=C1)NC(=O)OCCN2CCCCC2
InChI
InChI=1S/C21H34N2O3/c1-2-3-4-5-9-17-25-20-12-10-19(11-13-20)22-21(24)26-18-16-23-14-7-6-8-15-23/h10-13H,2-9,14-18H2,1H3,(H,22,24)
InChIKey
VXDSHHAHRRCBLH-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylethyl N-(4-heptoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

362.25696 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.26424 191.9
[M+Na]+ 385.24618 192.1
[M-H]- 361.24968 194.5
[M+NH4]+ 380.29078 202.0
[M+K]+ 401.22012 188.7
[M+H-H2O]+ 345.25422 181.5
[M+HCOO]- 407.25516 209.0
[M+CH3COO]- 421.27081 217.5
[M+Na-2H]- 383.23163 191.9
[M]+ 362.25641 192.0
[M]- 362.25751 192.0
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.