CID 6448142

82387-56-2

Structural Information

Molecular Formula
C24H29N3O2
SMILES
CCC(=O)N(CC(=O)N1CCN(CC1)C/C=C/C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C24H29N3O2/c1-2-23(28)27(22-13-7-4-8-14-22)20-24(29)26-18-16-25(17-19-26)15-9-12-21-10-5-3-6-11-21/h3-14H,2,15-20H2,1H3/b12-9+
InChIKey
HWPLUUUOPDMORS-FMIVXFBMSA-N
Compound name
N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.22598 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.23326 198.1
[M+Na]+ 414.21520 198.8
[M-H]- 390.21870 204.0
[M+NH4]+ 409.25980 205.5
[M+K]+ 430.18914 193.9
[M+H-H2O]+ 374.22324 185.7
[M+HCOO]- 436.22418 213.8
[M+CH3COO]- 450.23983 224.9
[M+Na-2H]- 412.20065 197.3
[M]+ 391.22543 194.7
[M]- 391.22653 194.7
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.