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]+ 365.22238 193.3
[M+Na]+ 387.20432 198.5
[M-H]- 363.20782 202.0
[M+NH4]+ 382.24892 199.3
[M+K]+ 403.17826 193.9
[M+H-H2O]+ 347.21236 182.2
[M+HCOO]- 409.21330 209.1
[M+CH3COO]- 423.22895 201.0
[M+Na-2H]- 385.18977 194.3
[M]+ 364.21455 192.7
[M]- 364.21565 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.