CID 2760430

685892-09-5

Structural Information

Molecular Formula
C14H21N3O
SMILES
C1CN(CCN1)CC(=O)NCCC2=CC=CC=C2
InChI
InChI=1S/C14H21N3O/c18-14(12-17-10-8-15-9-11-17)16-7-6-13-4-2-1-3-5-13/h1-5,15H,6-12H2,(H,16,18)
InChIKey
PMTDWOUIBYJPFJ-UHFFFAOYSA-N
Compound name
N-(2-phenylethyl)-2-piperazin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

247.16846 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.175736 159.3
[M+Na]+ 270.157678 161.5
[M-H]- 246.161184 160.1
[M+NH4]+ 265.202283 171.9
[M+K]+ 286.131618 157.3
[M+H-H2O]+ 230.165720 149.8
[M+HCOO]- 292.166661 175.6
[M+CH3COO]- 306.182311 192.1
[M+Na-2H]- 268.143126 163.3
[M]+ 247.16791142 152.5
[M]- 247.16900858 152.5
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

patents stripe