CID 2756350

3-amino-1-(4-benzylpiperazin-1-yl)propan-1-one

Structural Information

Molecular Formula
C14H21N3O
SMILES
C1CN(CCN1CC2=CC=CC=C2)C(=O)CCN
InChI
InChI=1S/C14H21N3O/c15-7-6-14(18)17-10-8-16(9-11-17)12-13-4-2-1-3-5-13/h1-5H,6-12,15H2
InChIKey
IINMBXVQHJDUNI-UHFFFAOYSA-N
Compound name
3-amino-1-(4-benzylpiperazin-1-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

247.16846 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.175736 160.1
[M+Na]+ 270.157678 163.7
[M-H]- 246.161184 162.2
[M+NH4]+ 265.202283 173.5
[M+K]+ 286.131618 160.1
[M+H-H2O]+ 230.165720 150.6
[M+HCOO]- 292.166661 177.3
[M+CH3COO]- 306.182311 195.2
[M+Na-2H]- 268.143126 162.7
[M]+ 247.16791142 154.6
[M]- 247.16900858 154.6
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.