CID 205089

Brn 0569887

Structural Information

Molecular Formula
C21H26N2O3
SMILES
CC1(C(C2=CC=CC=C2C1O)O)N3CCN(CC3)C4=CC=C(C=C4)OC
InChI
InChI=1S/C21H26N2O3/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/h3-10,19-20,24-25H,11-14H2,1-2H3
InChIKey
SYICVEYESYZNED-UHFFFAOYSA-N
Compound name
2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-methyl-1,3-dihydroindene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.19434 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.20162 186.8
[M+Na]+ 377.18356 193.2
[M-H]- 353.18706 192.0
[M+NH4]+ 372.22816 200.3
[M+K]+ 393.15750 187.5
[M+H-H2O]+ 337.19160 177.3
[M+HCOO]- 399.19254 199.7
[M+CH3COO]- 413.20819 195.4
[M+Na-2H]- 375.16901 186.4
[M]+ 354.19379 183.5
[M]- 354.19489 183.5
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.