CID 216132

Cyclopropanecarboxylic acid, 2,2-bis(4-chlorophenyl)-, 2-(1-piperidinyl)ethyl ester, hydrochloride

Structural Information

Molecular Formula
C23H25Cl2NO2
SMILES
C1CCN(CC1)CCOC(=O)C2CC2(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H25Cl2NO2/c24-19-8-4-17(5-9-19)23(18-6-10-20(25)11-7-18)16-21(23)22(27)28-15-14-26-12-2-1-3-13-26/h4-11,21H,1-3,12-16H2
InChIKey
SZNNTXPMMLWTSZ-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylethyl 2,2-bis(4-chlorophenyl)cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.12622 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.13350 192.7
[M+Na]+ 440.11544 199.4
[M-H]- 416.11894 201.8
[M+NH4]+ 435.16004 199.6
[M+K]+ 456.08938 193.2
[M+H-H2O]+ 400.12348 183.5
[M+HCOO]- 462.12442 200.6
[M+CH3COO]- 476.14007 200.6
[M+Na-2H]- 438.10089 192.4
[M]+ 417.12567 195.7
[M]- 417.12677 195.7
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.