CID 6880196

303103-72-2

Structural Information

Molecular Formula
C20H23FN4O
SMILES
C1CN(CCN1CC2=CC=CC=C2)CC(=O)N/N=C/C3=CC(=CC=C3)F
InChI
InChI=1S/C20H23FN4O/c21-19-8-4-7-18(13-19)14-22-23-20(26)16-25-11-9-24(10-12-25)15-17-5-2-1-3-6-17/h1-8,13-14H,9-12,15-16H2,(H,23,26)/b22-14+
InChIKey
QHOIGGLNMLBWMG-HYARGMPZSA-N
Compound name
2-(4-benzylpiperazin-1-yl)-N-[(E)-(3-fluorophenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.18558 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.19286 185.0
[M+Na]+ 377.17480 188.0
[M-H]- 353.17830 190.3
[M+NH4]+ 372.21940 194.1
[M+K]+ 393.14874 182.3
[M+H-H2O]+ 337.18284 171.9
[M+HCOO]- 399.18378 203.6
[M+CH3COO]- 413.19943 219.6
[M+Na-2H]- 375.16025 187.7
[M]+ 354.18503 179.5
[M]- 354.18613 179.5
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

No patent data available for this compound.