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]+ 355.201616 185.3
[M+Na]+ 377.183558 186.7
[M-H]- 353.187064 191.5
[M+NH4]+ 372.228163 195.0
[M+K]+ 393.157498 182.6
[M+H-H2O]+ 337.191600 174.0
[M+HCOO]- 399.192541 203.7
[M+CH3COO]- 413.208191 213.5
[M+Na-2H]- 375.169006 187.8
[M]+ 354.19379142 182.5
[M]- 354.19488858 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.