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]+ 250.191386 161.3
[M+Na]+ 272.173328 165.5
[M-H]- 248.176834 163.7
[M+NH4]+ 267.217933 175.0
[M+K]+ 288.147268 162.5
[M+H-H2O]+ 232.181370 152.0
[M+HCOO]- 294.182311 178.3
[M+CH3COO]- 308.197961 197.8
[M+Na-2H]- 270.158776 163.1
[M]+ 249.18356142 157.0
[M]- 249.18465858 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.