CID 205076

1,3-indandione, 2-(4-(p-methoxyphenyl)-1-piperazinyl)-2-methyl-

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 184.5
[M+Na]+ 373.15228 192.3
[M-H]- 349.15578 192.4
[M+NH4]+ 368.19688 199.3
[M+K]+ 389.12622 186.9
[M+H-H2O]+ 333.16032 174.3
[M+HCOO]- 395.16126 200.8
[M+CH3COO]- 409.17691 194.5
[M+Na-2H]- 371.13773 184.7
[M]+ 350.16251 183.2
[M]- 350.16361 183.2
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.