CID 16784639

1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethan-1-amine

Structural Information

Molecular Formula
C14H23N3O
SMILES
CN1CCN(CC1)CC(C2=CC=C(C=C2)OC)N
InChI
InChI=1S/C14H23N3O/c1-16-7-9-17(10-8-16)11-14(15)12-3-5-13(18-2)6-4-12/h3-6,14H,7-11,15H2,1-2H3
InChIKey
GIEDTLUQSFWSEZ-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.18411 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.19139 161.3
[M+Na]+ 272.17333 165.5
[M-H]- 248.17683 163.7
[M+NH4]+ 267.21793 175.0
[M+K]+ 288.14727 162.5
[M+H-H2O]+ 232.18137 152.0
[M+HCOO]- 294.18231 178.3
[M+CH3COO]- 308.19796 197.8
[M+Na-2H]- 270.15878 163.1
[M]+ 249.18356 157.0
[M]- 249.18466 157.0
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.