CID 55232737

1021426-42-5

Structural Information

Molecular Formula
C13H19N3O2
SMILES
CC(=O)N1CCN(CC1)C2=CC(=C(C=C2)N)OC
InChI
InChI=1S/C13H19N3O2/c1-10(17)15-5-7-16(8-6-15)11-3-4-12(14)13(9-11)18-2/h3-4,9H,5-8,14H2,1-2H3
InChIKey
OJCNMAFGNSFBOO-UHFFFAOYSA-N
Compound name
1-[4-(4-amino-3-methoxyphenyl)piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

163
Patents

249.14772 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.154996 159.2
[M+Na]+ 272.136938 165.1
[M-H]- 248.140444 162.3
[M+NH4]+ 267.181543 173.1
[M+K]+ 288.110878 162.3
[M+H-H2O]+ 232.144980 150.3
[M+HCOO]- 294.145921 176.9
[M+CH3COO]- 308.161571 196.7
[M+Na-2H]- 270.122386 160.8
[M]+ 249.14717142 155.6
[M]- 249.14826858 155.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe