CID 378277

Nsc660233

Structural Information

Molecular Formula
C26H30N2O4
SMILES
CC1(C(OC2=CC=CC=C2C1=O)N3CCN(CC3)C4C(C(=O)C5=CC=CC=C5O4)(C)C)C
InChI
InChI=1S/C26H30N2O4/c1-25(2)21(29)17-9-5-7-11-19(17)31-23(25)27-13-15-28(16-14-27)24-26(3,4)22(30)18-10-6-8-12-20(18)32-24/h5-12,23-24H,13-16H2,1-4H3
InChIKey
VGPSSCZRBLRGAG-UHFFFAOYSA-N
Compound name
2-[4-(3,3-dimethyl-4-oxo-2H-chromen-2-yl)piperazin-1-yl]-3,3-dimethyl-2H-chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.22055 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.227826 209.3
[M+Na]+ 457.209768 216.3
[M-H]- 433.213274 218.0
[M+NH4]+ 452.254373 218.7
[M+K]+ 473.183708 213.3
[M+H-H2O]+ 417.217810 195.9
[M+HCOO]- 479.218751 216.0
[M+CH3COO]- 493.234401 216.5
[M+Na-2H]- 455.195216 209.8
[M]+ 434.22000142 206.7
[M]- 434.22109858 206.7
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.