CID 211123

Brn 0853148

Structural Information

Molecular Formula
C23H26N2O3
SMILES
CC1(C(=O)C2=CC=CC=C2C1=O)CCN3CCN(CC3)C4=CC=CC=C4OC
InChI
InChI=1S/C23H26N2O3/c1-23(21(26)17-7-3-4-8-18(17)22(23)27)11-12-24-13-15-25(16-14-24)19-9-5-6-10-20(19)28-2/h3-10H,11-16H2,1-2H3
InChIKey
HAXWZODGRANCKO-UHFFFAOYSA-N
Compound name
2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-methylindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.19434 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.20162 193.7
[M+Na]+ 401.18356 207.1
[M+NH4]+ 396.22816 202.3
[M+K]+ 417.15750 198.7
[M-H]- 377.18706 198.4
[M+Na-2H]- 399.16901 200.9
[M]+ 378.19379 197.1
[M]- 378.19489 197.1
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.