CID 3068839

83881-36-1

Structural Information

Molecular Formula
C21H27N3O2
SMILES
C1CN(CCN1CCOCC(=O)N)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H27N3O2/c22-20(25)17-26-16-15-23-11-13-24(14-12-23)21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,21H,11-17H2,(H2,22,25)
InChIKey
GGSYGVSIXHKJLA-UHFFFAOYSA-N
Compound name
2-[2-(4-benzhydrylpiperazin-1-yl)ethoxy]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

353.21033 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.21761 186.5
[M+Na]+ 376.19955 187.6
[M-H]- 352.20305 190.8
[M+NH4]+ 371.24415 194.5
[M+K]+ 392.17349 182.8
[M+H-H2O]+ 336.20759 174.7
[M+HCOO]- 398.20853 201.7
[M+CH3COO]- 412.22418 215.7
[M+Na-2H]- 374.18500 187.0
[M]+ 353.20978 181.5
[M]- 353.21088 181.5
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

patents stripe