CID 205091

17334-84-8

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]+ 355.201616 186.8
[M+Na]+ 377.183558 193.2
[M-H]- 353.187064 192.0
[M+NH4]+ 372.228163 200.3
[M+K]+ 393.157498 187.5
[M+H-H2O]+ 337.191600 177.3
[M+HCOO]- 399.192541 199.7
[M+CH3COO]- 413.208191 195.4
[M+Na-2H]- 375.169006 186.4
[M]+ 354.19379142 183.5
[M]- 354.19488858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.