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 193.3
[M+Na]+ 401.18356 200.1
[M-H]- 377.18706 200.7
[M+NH4]+ 396.22816 206.8
[M+K]+ 417.15750 194.4
[M+H-H2O]+ 361.19160 182.6
[M+HCOO]- 423.19254 208.8
[M+CH3COO]- 437.20819 202.4
[M+Na-2H]- 399.16901 192.4
[M]+ 378.19379 192.5
[M]- 378.19489 192.5
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.