CID 217653

39125-71-8

Structural Information

Molecular Formula
C23H28N2O2
SMILES
CN1CCN(CC1)CCOC(=O)C2CC2(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H28N2O2/c1-24-12-14-25(15-13-24)16-17-27-22(26)21-18-23(21,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,21H,12-18H2,1H3
InChIKey
VGHXHDRNHKJPTO-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)ethyl 2,2-diphenylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.2151 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.222376 193.3
[M+Na]+ 387.204318 198.5
[M-H]- 363.207824 202.0
[M+NH4]+ 382.248923 199.3
[M+K]+ 403.178258 193.9
[M+H-H2O]+ 347.212360 182.2
[M+HCOO]- 409.213301 209.1
[M+CH3COO]- 423.228951 201.0
[M+Na-2H]- 385.189766 194.3
[M]+ 364.21455142 192.7
[M]- 364.21564858 192.7
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.