CID 13362433

4-pyridinemethanol, 1,2,3,6-tetrahydro-1-methyl-, benzilate

Structural Information

Molecular Formula
C21H23NO3
SMILES
CN1CCC(=CC1)COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C21H23NO3/c1-22-14-12-17(13-15-22)16-25-20(23)21(24,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-12,24H,13-16H2,1H3
InChIKey
TXGJVPKWVPLGRT-UHFFFAOYSA-N
Compound name
(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.1678 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.17508 182.2
[M+Na]+ 360.15702 195.3
[M+NH4]+ 355.20162 189.2
[M+K]+ 376.13096 188.2
[M-H]- 336.16052 186.7
[M+Na-2H]- 358.14247 191.4
[M]+ 337.16725 185.3
[M]- 337.16835 185.3
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.