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]+ 292.201946 172.1
[M+Na]+ 314.183888 175.6
[M-H]- 290.187394 174.2
[M+NH4]+ 309.228493 183.9
[M+K]+ 330.157828 172.1
[M+H-H2O]+ 274.191930 162.2
[M+HCOO]- 336.192871 188.8
[M+CH3COO]- 350.208521 204.5
[M+Na-2H]- 312.169336 172.9
[M]+ 291.19412142 169.1
[M]- 291.19521858 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.