CID 3064687

Cis-n,n-diethyl-2-((4-methyl-1-piperazinyl)methyl)-1-phenylcyclopropanecarboxamide 2hcl

Structural Information

Molecular Formula
C20H31N3O
SMILES
CCN(CC)C(=O)[C@@]1(C[C@H]1CN2CCN(CC2)C)C3=CC=CC=C3
InChI
InChI=1S/C20H31N3O/c1-4-23(5-2)19(24)20(17-9-7-6-8-10-17)15-18(20)16-22-13-11-21(3)12-14-22/h6-10,18H,4-5,11-16H2,1-3H3/t18-,20-/m0/s1
InChIKey
LDEXJZVYCMIKOK-ICSRJNTNSA-N
Compound name
(1R,2R)-N,N-diethyl-2-[(4-methylpiperazin-1-yl)methyl]-1-phenylcyclopropane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.2467 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.25398 185.8
[M+Na]+ 352.23592 190.6
[M-H]- 328.23942 193.2
[M+NH4]+ 347.28052 194.3
[M+K]+ 368.20986 187.4
[M+H-H2O]+ 312.24396 176.1
[M+HCOO]- 374.24490 202.6
[M+CH3COO]- 388.26055 218.0
[M+Na-2H]- 350.22137 186.1
[M]+ 329.24615 186.4
[M]- 329.24725 186.4
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.