CID 43253545

1-(4-{2-[4-(2-aminoethyl)phenoxy]ethyl}piperazin-1-yl)ethan-1-one

Structural Information

Molecular Formula
C16H25N3O2
SMILES
CC(=O)N1CCN(CC1)CCOC2=CC=C(C=C2)CCN
InChI
InChI=1S/C16H25N3O2/c1-14(20)19-10-8-18(9-11-19)12-13-21-16-4-2-15(3-5-16)6-7-17/h2-5H,6-13,17H2,1H3
InChIKey
GCVSBTVGTCLACU-UHFFFAOYSA-N
Compound name
1-[4-[2-[4-(2-aminoethyl)phenoxy]ethyl]piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.19467 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.20195 172.1
[M+Na]+ 314.18389 175.6
[M-H]- 290.18739 174.2
[M+NH4]+ 309.22849 183.9
[M+K]+ 330.15783 172.1
[M+H-H2O]+ 274.19193 162.2
[M+HCOO]- 336.19287 188.8
[M+CH3COO]- 350.20852 204.5
[M+Na-2H]- 312.16934 172.9
[M]+ 291.19412 169.1
[M]- 291.19522 169.1
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.