CID 3056702

73826-03-6

Structural Information

Molecular Formula
C21H26N2O2
SMILES
C1CCN(CC1)CCC(C2=CC=CC=C2)OC(=O)NC3=CC=CC=C3
InChI
InChI=1S/C21H26N2O2/c24-21(22-19-12-6-2-7-13-19)25-20(18-10-4-1-5-11-18)14-17-23-15-8-3-9-16-23/h1-2,4-7,10-13,20H,3,8-9,14-17H2,(H,22,24)
InChIKey
RQPIFRBMMCLIDN-UHFFFAOYSA-N
Compound name
(1-phenyl-3-piperidin-1-ylpropyl) N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.19943 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.20671 184.7
[M+Na]+ 361.18865 196.3
[M+NH4]+ 356.23325 192.1
[M+K]+ 377.16259 188.2
[M-H]- 337.19215 190.5
[M+Na-2H]- 359.17410 193.5
[M]+ 338.19888 187.8
[M]- 338.19998 187.8
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.