CID 65810

Pituxate

Structural Information

Molecular Formula
C23H27NO2
SMILES
C1CCN(CC1)CCOC(=O)C2CC2(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H27NO2/c25-22(26-17-16-24-14-8-3-9-15-24)21-18-23(21,19-10-4-1-5-11-19)20-12-6-2-7-13-20/h1-2,4-7,10-13,21H,3,8-9,14-18H2
InChIKey
RBGWIGCQQIJVGI-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylethyl 2,2-diphenylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

32
Patents

349.2042 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.211476 185.9
[M+Na]+ 372.193418 190.3
[M-H]- 348.196924 195.7
[M+NH4]+ 367.238023 193.6
[M+K]+ 388.167358 186.3
[M+H-H2O]+ 332.201460 175.6
[M+HCOO]- 394.202401 203.1
[M+CH3COO]- 408.218051 194.2
[M+Na-2H]- 370.178866 187.8
[M]+ 349.20365142 184.5
[M]- 349.20474858 184.5
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

patents stripe