CID 58324

101418-15-9

Structural Information

Molecular Formula
C19H21NO3
SMILES
CN1CCC(CC1)(C2=CC=CC=C2)OC(=O)OC3=CC=CC=C3
InChI
InChI=1S/C19H21NO3/c1-20-14-12-19(13-15-20,16-8-4-2-5-9-16)23-18(21)22-17-10-6-3-7-11-17/h2-11H,12-15H2,1H3
InChIKey
JAWVTCCRYNKTAD-UHFFFAOYSA-N
Compound name
(1-methyl-4-phenylpiperidin-4-yl) phenyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.15213 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.15941 175.1
[M+Na]+ 334.14135 179.5
[M-H]- 310.14485 182.4
[M+NH4]+ 329.18595 189.2
[M+K]+ 350.11529 176.2
[M+H-H2O]+ 294.14939 165.0
[M+HCOO]- 356.15033 193.2
[M+CH3COO]- 370.16598 202.1
[M+Na-2H]- 332.12680 178.9
[M]+ 311.15158 172.7
[M]- 311.15268 172.7
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.