CID 205076

Brn 0841819

Structural Information

Molecular Formula
C21H22N2O3
SMILES
CC1(C(=O)C2=CC=CC=C2C1=O)N3CCN(CC3)C4=CC=C(C=C4)OC
InChI
InChI=1S/C21H22N2O3/c1-21(19(24)17-5-3-4-6-18(17)20(21)25)23-13-11-22(12-14-23)15-7-9-16(26-2)10-8-15/h3-10H,11-14H2,1-2H3
InChIKey
JMRCCMVBTDIWCV-UHFFFAOYSA-N
Compound name
2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-methylindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.16306 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.17034 184.9
[M+Na]+ 373.15228 198.7
[M+NH4]+ 368.19688 193.8
[M+K]+ 389.12622 190.8
[M-H]- 349.15578 189.7
[M+Na-2H]- 371.13773 192.6
[M]+ 350.16251 188.3
[M]- 350.16361 188.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.