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]+ 351.170336 184.5
[M+Na]+ 373.152278 192.3
[M-H]- 349.155784 192.4
[M+NH4]+ 368.196883 199.3
[M+K]+ 389.126218 186.9
[M+H-H2O]+ 333.160320 174.3
[M+HCOO]- 395.161261 200.8
[M+CH3COO]- 409.176911 194.5
[M+Na-2H]- 371.137726 184.7
[M]+ 350.16251142 183.2
[M]- 350.16360858 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.