CID 205087

Brn 0902624

Structural Information

Molecular Formula
C26H24N2O3
SMILES
COC1=CC=CC=C1N2CCN(CC2)C3(C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5
InChI
InChI=1S/C26H24N2O3/c1-31-23-14-8-7-13-22(23)27-15-17-28(18-16-27)26(19-9-3-2-4-10-19)24(29)20-11-5-6-12-21(20)25(26)30/h2-14H,15-18H2,1H3
InChIKey
LAGYODQWMJCNFO-UHFFFAOYSA-N
Compound name
2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.17868 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.18596 202.3
[M+Na]+ 435.16790 208.9
[M-H]- 411.17140 212.7
[M+NH4]+ 430.21250 213.5
[M+K]+ 451.14184 202.0
[M+H-H2O]+ 395.17594 189.6
[M+HCOO]- 457.17688 217.7
[M+CH3COO]- 471.19253 210.6
[M+Na-2H]- 433.15335 201.5
[M]+ 412.17813 199.5
[M]- 412.17923 199.5
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.