CID 3046278

1-piperazinepropionamide, 4-(2-(diphenylmethoxy)ethyl)-, dihydrochloride, sesquihydrate

Structural Information

Molecular Formula
C22H29N3O2
SMILES
C1CN(CCN1CCC(=O)N)CCOC(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H29N3O2/c23-21(26)11-12-24-13-15-25(16-14-24)17-18-27-22(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,22H,11-18H2,(H2,23,26)
InChIKey
ZHAFWMVAHUFVKB-UHFFFAOYSA-N
Compound name
3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.22598 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.23326 192.2
[M+Na]+ 390.21520 203.3
[M+NH4]+ 385.25980 198.4
[M+K]+ 406.18914 195.8
[M-H]- 366.21870 197.0
[M+Na-2H]- 388.20065 199.6
[M]+ 367.22543 194.9
[M]- 367.22653 194.9
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

No patent data available for this compound.