CID 3040715

1-piperazinepropanamide, 4-(2-(acetyloxy)ethyl)-n,n-diphenyl-

Structural Information

Molecular Formula
C23H29N3O3
SMILES
CC(=O)OCCN1CCN(CC1)CCC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C23H29N3O3/c1-20(27)29-19-18-25-16-14-24(15-17-25)13-12-23(28)26(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-11H,12-19H2,1H3
InChIKey
KTCQVJYHEHTRTJ-UHFFFAOYSA-N
Compound name
2-[4-[3-oxo-3-(N-phenylanilino)propyl]piperazin-1-yl]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.2209 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.22818 196.9
[M+Na]+ 418.21012 207.8
[M+NH4]+ 413.25472 202.4
[M+K]+ 434.18406 201.0
[M-H]- 394.21362 201.4
[M+Na-2H]- 416.19557 204.4
[M]+ 395.22035 199.4
[M]- 395.22145 199.4
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.