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 177.0
[M+Na]+ 344.13696 184.2
[M-H]- 320.14046 184.7
[M+NH4]+ 339.18156 187.0
[M+K]+ 360.11090 179.0
[M+H-H2O]+ 304.14500 165.6
[M+HCOO]- 366.14594 193.5
[M+CH3COO]- 380.16159 186.7
[M+Na-2H]- 342.12241 181.8
[M]+ 321.14719 173.1
[M]- 321.14829 173.1
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.