CID 11741417

Schembl7238918

Structural Information

Molecular Formula
C24H33N3O2
SMILES
CCN(CC)C(=O)OCC1CN(CCN1CC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C24H33N3O2/c1-3-26(4-2)24(28)29-20-23-19-25(17-21-11-7-5-8-12-21)15-16-27(23)18-22-13-9-6-10-14-22/h5-14,23H,3-4,15-20H2,1-2H3
InChIKey
DIPWPNLTJATONI-UHFFFAOYSA-N
Compound name
(1,4-dibenzylpiperazin-2-yl)methyl N,N-diethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

395.25726 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.26454 200.6
[M+Na]+ 418.24648 201.8
[M-H]- 394.24998 206.6
[M+NH4]+ 413.29108 208.2
[M+K]+ 434.22042 197.6
[M+H-H2O]+ 378.25452 188.0
[M+HCOO]- 440.25546 216.8
[M+CH3COO]- 454.27111 227.3
[M+Na-2H]- 416.23193 200.0
[M]+ 395.25671 199.5
[M]- 395.25781 199.5
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

patents stripe