CID 98550

Piperazine, 1-(2h-1-benzopyran-3-ylcarbonyl)-4-phenyl-

Structural Information

Molecular Formula
C20H20N2O2
SMILES
C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4OC3
InChI
InChI=1S/C20H20N2O2/c23-20(17-14-16-6-4-5-9-19(16)24-15-17)22-12-10-21(11-13-22)18-7-2-1-3-8-18/h1-9,14H,10-13,15H2
InChIKey
IFYDSYGIWKFFFE-UHFFFAOYSA-N
Compound name
2H-chromen-3-yl-(4-phenylpiperazin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.15247 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.159746 176.5
[M+Na]+ 343.141688 180.9
[M-H]- 319.145194 183.4
[M+NH4]+ 338.186293 186.3
[M+K]+ 359.115628 176.6
[M+H-H2O]+ 303.149730 164.9
[M+HCOO]- 365.150671 189.9
[M+CH3COO]- 379.166321 185.2
[M+Na-2H]- 341.127136 180.5
[M]+ 320.15192142 171.4
[M]- 320.15301858 171.4
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.