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
2
Annotation Hits

0
References

33
Patents

349.2042 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.21148 185.9
[M+Na]+ 372.19342 190.3
[M-H]- 348.19692 195.7
[M+NH4]+ 367.23802 193.6
[M+K]+ 388.16736 186.3
[M+H-H2O]+ 332.20146 175.6
[M+HCOO]- 394.20240 203.1
[M+CH3COO]- 408.21805 194.2
[M+Na-2H]- 370.17887 187.8
[M]+ 349.20365 184.5
[M]- 349.20475 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