CID 3068847

Acetamide, 2-(2-(2-(4-(diphenylmethyl)-1-piperazinyl)ethoxy)ethoxy)-, dihydrochloride

Structural Information

Molecular Formula
C23H31N3O3
SMILES
C1CN(CCN1CCOCCOCC(=O)N)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C23H31N3O3/c24-22(27)19-29-18-17-28-16-15-25-11-13-26(14-12-25)23(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-10,23H,11-19H2,(H2,24,27)
InChIKey
XLPUUELQNQRYRX-UHFFFAOYSA-N
Compound name
2-[2-[2-(4-benzhydrylpiperazin-1-yl)ethoxy]ethoxy]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

397.23654 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.24382 197.5
[M+Na]+ 420.22576 197.4
[M-H]- 396.22926 201.4
[M+NH4]+ 415.27036 203.5
[M+K]+ 436.19970 193.0
[M+H-H2O]+ 380.23380 185.1
[M+HCOO]- 442.23474 212.2
[M+CH3COO]- 456.25039 223.6
[M+Na-2H]- 418.21121 197.1
[M]+ 397.23599 194.5
[M]- 397.23709 194.5
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