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]+ 435.22783 209.3
[M+Na]+ 457.20977 216.3
[M-H]- 433.21327 218.0
[M+NH4]+ 452.25437 218.7
[M+K]+ 473.18371 213.3
[M+H-H2O]+ 417.21781 195.9
[M+HCOO]- 479.21875 216.0
[M+CH3COO]- 493.23440 216.5
[M+Na-2H]- 455.19522 209.8
[M]+ 434.22000 206.7
[M]- 434.22110 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.