CID 59330

Diphenylmethyl 4-hydroxy-1-methylisonipecotate

Structural Information

Molecular Formula
C20H23NO3
SMILES
CN1CCC(CC1)(C(=O)OC(C2=CC=CC=C2)C3=CC=CC=C3)O
InChI
InChI=1S/C20H23NO3/c1-21-14-12-20(23,13-15-21)19(22)24-18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18,23H,12-15H2,1H3
InChIKey
GFXQTCCWCSVYAN-UHFFFAOYSA-N
Compound name
benzhydryl 4-hydroxy-1-methylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.1678 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.17508 179.2
[M+Na]+ 348.15702 182.4
[M-H]- 324.16052 185.0
[M+NH4]+ 343.20162 191.9
[M+K]+ 364.13096 178.6
[M+H-H2O]+ 308.16506 169.5
[M+HCOO]- 370.16600 194.5
[M+CH3COO]- 384.18165 204.2
[M+Na-2H]- 346.14247 181.1
[M]+ 325.16725 174.9
[M]- 325.16835 174.9
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.