CID 71300421

Pinolcaine

Structural Information

Molecular Formula
C23H29NO2
SMILES
CC(C)([C@H]1CCCCN1C)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C23H29NO2/c1-23(2,20-16-10-11-17-24(20)3)26-22(25)21(18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-9,12-15,20-21H,10-11,16-17H2,1-3H3/t20-/m1/s1
InChIKey
FKFABDZLGKRECY-HXUWFJFHSA-N
Compound name
2-[(2R)-1-methylpiperidin-2-yl]propan-2-yl 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

351.21982 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.22710 187.4
[M+Na]+ 374.20904 189.1
[M-H]- 350.21254 193.8
[M+NH4]+ 369.25364 197.8
[M+K]+ 390.18298 185.1
[M+H-H2O]+ 334.21708 177.2
[M+HCOO]- 396.21802 201.3
[M+CH3COO]- 410.23367 214.3
[M+Na-2H]- 372.19449 188.0
[M]+ 351.21927 183.7
[M]- 351.22037 183.7
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.