CID 5469092

Nsc682922

Structural Information

Molecular Formula
C20H19N3O2
SMILES
C1CN(CCN1C2=CC=CC=N2)C(=O)/C=C/C3=CC4=CC=CC=C4O3
InChI
InChI=1S/C20H19N3O2/c24-20(9-8-17-15-16-5-1-2-6-18(16)25-17)23-13-11-22(12-14-23)19-7-3-4-10-21-19/h1-10,15H,11-14H2/b9-8+
InChIKey
VPYUXIAYGBDIBK-CMDGGOBGSA-N
Compound name
(E)-3-(1-benzofuran-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.14774 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.15502 179.5
[M+Na]+ 356.13696 186.1
[M-H]- 332.14046 186.1
[M+NH4]+ 351.18156 189.6
[M+K]+ 372.11090 180.8
[M+H-H2O]+ 316.14500 168.1
[M+HCOO]- 378.14594 195.4
[M+CH3COO]- 392.16159 188.9
[M+Na-2H]- 354.12241 182.2
[M]+ 333.14719 177.9
[M]- 333.14829 177.9
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.