CID 216139

Cyclopropanecarboxylic acid, 2,2-diphenyl-, 2-(2-(4-methyl-1-piperazinyl)ethoxy)ethyl ester, dihydrochloride

Structural Information

Molecular Formula
C25H32N2O3
SMILES
CN1CCN(CC1)CCOCCOC(=O)C2CC2(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H32N2O3/c1-26-12-14-27(15-13-26)16-17-29-18-19-30-24(28)23-20-25(23,21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-11,23H,12-20H2,1H3
InChIKey
XTYCFKLGJOKGTO-UHFFFAOYSA-N
Compound name
2-[2-(4-methylpiperazin-1-yl)ethoxy]ethyl 2,2-diphenylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.2413 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.24858 204.5
[M+Na]+ 431.23052 208.6
[M-H]- 407.23402 212.7
[M+NH4]+ 426.27512 208.6
[M+K]+ 447.20446 204.2
[M+H-H2O]+ 391.23856 192.9
[M+HCOO]- 453.23950 219.7
[M+CH3COO]- 467.25515 224.1
[M+Na-2H]- 429.21597 204.6
[M]+ 408.24075 205.9
[M]- 408.24185 205.9
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.