CID 50496

69405-48-7

Structural Information

Molecular Formula
C19H19N3O2
SMILES
C1CN(CCN1C2=CC=CC=C2)C3=C(C(=O)OC4=CC=CC=C43)N
InChI
InChI=1S/C19H19N3O2/c20-17-18(15-8-4-5-9-16(15)24-19(17)23)22-12-10-21(11-13-22)14-6-2-1-3-7-14/h1-9H,10-13,20H2
InChIKey
JMMKNFSLHJYTGJ-UHFFFAOYSA-N
Compound name
3-amino-4-(4-phenylpiperazin-1-yl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

321.14774 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.15502 176.7
[M+Na]+ 344.13696 192.8
[M+NH4]+ 339.18156 184.9
[M+K]+ 360.11090 184.5
[M-H]- 320.14046 184.8
[M+Na-2H]- 342.12241 185.6
[M]+ 321.14719 181.4
[M]- 321.14829 181.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.