CID 29606

Kp 54

Structural Information

Molecular Formula
C21H26N2O3
SMILES
C1CCN(CC1)CCOC(=O)NC2=CC(=CC=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C21H26N2O3/c24-21(25-15-14-23-12-5-2-6-13-23)22-19-10-7-11-20(16-19)26-17-18-8-3-1-4-9-18/h1,3-4,7-11,16H,2,5-6,12-15,17H2,(H,22,24)
InChIKey
WVBYJHWVVQSHOP-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylethyl N-(3-phenylmethoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.19434 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.20162 185.3
[M+Na]+ 377.18356 186.7
[M-H]- 353.18706 191.5
[M+NH4]+ 372.22816 195.0
[M+K]+ 393.15750 182.6
[M+H-H2O]+ 337.19160 174.0
[M+HCOO]- 399.19254 203.7
[M+CH3COO]- 413.20819 213.5
[M+Na-2H]- 375.16901 187.8
[M]+ 354.19379 182.5
[M]- 354.19489 182.5
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.