CID 371316

Nsc645390

Structural Information

Molecular Formula
C27H24N2O4
SMILES
C1CN(CCN1C2=CC=CC=C2)C(=O)COC3=CC4=C(C=C3)C(=O)C=C(O4)C5=CC=CC=C5
InChI
InChI=1S/C27H24N2O4/c30-24-18-25(20-7-3-1-4-8-20)33-26-17-22(11-12-23(24)26)32-19-27(31)29-15-13-28(14-16-29)21-9-5-2-6-10-21/h1-12,17-18H,13-16,19H2
InChIKey
VSRMJNSPSMHNEA-UHFFFAOYSA-N
Compound name
7-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.1736 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.18088 208.0
[M+Na]+ 463.16282 212.7
[M-H]- 439.16632 218.0
[M+NH4]+ 458.20742 212.1
[M+K]+ 479.13676 207.5
[M+H-H2O]+ 423.17086 193.7
[M+HCOO]- 485.17180 221.5
[M+CH3COO]- 499.18745 214.9
[M+Na-2H]- 461.14827 209.9
[M]+ 440.17305 206.2
[M]- 440.17415 206.2
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.