CID 154572905

Fekap

Structural Information

Molecular Formula
C19H26Cl2FN3O3
SMILES
CCN(CCF)C[C@@H]1CN(CCN1C(=O)CC2=CC(=C(C=C2)Cl)Cl)C(=O)OC
InChI
InChI=1S/C19H26Cl2FN3O3/c1-3-23(7-6-22)12-15-13-24(19(27)28-2)8-9-25(15)18(26)11-14-4-5-16(20)17(21)10-14/h4-5,10,15H,3,6-9,11-13H2,1-2H3/t15-/m1/s1
InChIKey
HYCNKKWUFLJJNW-OAHLLOKOSA-N
Compound name
methyl (3R)-4-[2-(3,4-dichlorophenyl)acetyl]-3-[[ethyl(2-fluoroethyl)amino]methyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

433.1335 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.14078 197.8
[M+Na]+ 456.12272 203.3
[M-H]- 432.12622 200.1
[M+NH4]+ 451.16732 206.7
[M+K]+ 472.09666 198.3
[M+H-H2O]+ 416.13076 188.2
[M+HCOO]- 478.13170 203.6
[M+CH3COO]- 492.14735 230.6
[M+Na-2H]- 454.10817 193.7
[M]+ 433.13295 201.4
[M]- 433.13405 201.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.