CID 3040702

1-piperazineethanol, 4-(3-(diphenylamino)-1-oxopropyl)-, acetate (ester)

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.2209 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.22818 197.1
[M+Na]+ 418.21012 197.7
[M-H]- 394.21362 203.1
[M+NH4]+ 413.25472 204.2
[M+K]+ 434.18406 194.3
[M+H-H2O]+ 378.21816 184.6
[M+HCOO]- 440.21910 213.1
[M+CH3COO]- 454.23475 225.4
[M+Na-2H]- 416.19557 197.0
[M]+ 395.22035 195.5
[M]- 395.22145 195.5
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.