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

35
Patents

353.21033 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.217606 186.5
[M+Na]+ 376.199548 187.6
[M-H]- 352.203054 190.8
[M+NH4]+ 371.244153 194.5
[M+K]+ 392.173488 182.8
[M+H-H2O]+ 336.207590 174.7
[M+HCOO]- 398.208531 201.7
[M+CH3COO]- 412.224181 215.7
[M+Na-2H]- 374.184996 187.0
[M]+ 353.20978142 181.5
[M]- 353.21087858 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