CID 205091

Brn 0573792

Structural Information

Molecular Formula
C21H26N2O3
SMILES
CC1(C(C2=CC=CC=C2C1O)O)N3CCN(CC3)C4=CC=CC=C4OC
InChI
InChI=1S/C21H26N2O3/c1-21(19(24)15-7-3-4-8-16(15)20(21)25)23-13-11-22(12-14-23)17-9-5-6-10-18(17)26-2/h3-10,19-20,24-25H,11-14H2,1-2H3
InChIKey
RLLYYQWJNUGWBO-UHFFFAOYSA-N
Compound name
2-[4-(2-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 187.2
[M+Na]+ 377.18356 199.9
[M+NH4]+ 372.22816 196.0
[M+K]+ 393.15750 192.7
[M-H]- 353.18706 191.5
[M+Na-2H]- 375.16901 193.9
[M]+ 354.19379 190.3
[M]- 354.19489 190.3
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.