CID 16074365

(1,4-dibenzoylpiperazin-2-yl)methyl n,n-diethylcarbamate

Structural Information

Molecular Formula
C24H29N3O4
SMILES
CCN(CC)C(=O)OCC1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C24H29N3O4/c1-3-25(4-2)24(30)31-18-21-17-26(22(28)19-11-7-5-8-12-19)15-16-27(21)23(29)20-13-9-6-10-14-20/h5-14,21H,3-4,15-18H2,1-2H3
InChIKey
DQBWTPJOBKQNNW-UHFFFAOYSA-N
Compound name
(1,4-dibenzoylpiperazin-2-yl)methyl N,N-diethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

423.21582 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.22310 203.2
[M+Na]+ 446.20504 204.3
[M-H]- 422.20854 209.7
[M+NH4]+ 441.24964 209.4
[M+K]+ 462.17898 201.6
[M+H-H2O]+ 406.21308 191.1
[M+HCOO]- 468.21402 218.3
[M+CH3COO]- 482.22967 230.6
[M+Na-2H]- 444.19049 201.0
[M]+ 423.21527 202.4
[M]- 423.21637 202.4
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.