CID 378557

Nsc661195

Structural Information

Molecular Formula
C29H28N2O4
SMILES
CC(C)(C(=O)N1CCN(CC1)C2=CC=CC=C2)OC3=CC4=C(C=C3)C(=O)C=C(O4)C5=CC=CC=C5
InChI
InChI=1S/C29H28N2O4/c1-29(2,28(33)31-17-15-30(16-18-31)22-11-7-4-8-12-22)35-23-13-14-24-25(32)20-26(34-27(24)19-23)21-9-5-3-6-10-21/h3-14,19-20H,15-18H2,1-2H3
InChIKey
BMDABUHQUQQFFC-UHFFFAOYSA-N
Compound name
7-[2-methyl-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]oxy-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.2049 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.21218 216.5
[M+Na]+ 491.19412 220.6
[M-H]- 467.19762 226.4
[M+NH4]+ 486.23872 219.5
[M+K]+ 507.16806 215.8
[M+H-H2O]+ 451.20216 202.5
[M+HCOO]- 513.20310 227.6
[M+CH3COO]- 527.21875 222.7
[M+Na-2H]- 489.17957 218.5
[M]+ 468.20435 214.9
[M]- 468.20545 214.9
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.