CID 3971

154447-38-8

Structural Information

Molecular Formula
C19H18N2O2
SMILES
C1CN(CCN1)C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C19H18N2O2/c22-17-13-18(21-11-9-20-10-12-21)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13,20H,9-12H2
InChIKey
NGAGMBNBKCDCDJ-UHFFFAOYSA-N
Compound name
8-phenyl-2-piperazin-1-ylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

33
References

189
Patents

306.13684 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.144116 172.1
[M+Na]+ 329.126058 178.7
[M-H]- 305.129564 178.5
[M+NH4]+ 324.170663 182.2
[M+K]+ 345.099998 173.1
[M+H-H2O]+ 289.134100 161.0
[M+HCOO]- 351.135041 186.7
[M+CH3COO]- 365.150691 181.5
[M+Na-2H]- 327.111506 177.6
[M]+ 306.13629142 167.4
[M]- 306.13738858 167.4
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.