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 182.3
[M+Na]+ 361.18865 182.6
[M-H]- 337.19215 188.2
[M+NH4]+ 356.23325 192.4
[M+K]+ 377.16259 178.4
[M+H-H2O]+ 321.19669 171.3
[M+HCOO]- 383.19763 199.5
[M+CH3COO]- 397.21328 211.1
[M+Na-2H]- 359.17410 184.3
[M]+ 338.19888 177.2
[M]- 338.19998 177.2
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.