CID 3040706

1-piperazinepropionamide, n,n,4-triphenyl-

Structural Information

Molecular Formula
C25H27N3O
SMILES
C1CN(CCN1CCC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H27N3O/c29-25(28(23-12-6-2-7-13-23)24-14-8-3-9-15-24)16-17-26-18-20-27(21-19-26)22-10-4-1-5-11-22/h1-15H,16-21H2
InChIKey
VDCQMAIZHRTXJI-UHFFFAOYSA-N
Compound name
N,N-diphenyl-3-(4-phenylpiperazin-1-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.21542 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.22270 194.9
[M+Na]+ 408.20464 195.9
[M-H]- 384.20814 203.6
[M+NH4]+ 403.24924 201.7
[M+K]+ 424.17858 190.0
[M+H-H2O]+ 368.21268 181.1
[M+HCOO]- 430.21362 211.5
[M+CH3COO]- 444.22927 201.7
[M+Na-2H]- 406.19009 196.9
[M]+ 385.21487 189.5
[M]- 385.21597 189.5
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.