CID 3060441

Piperazine, 1-(3-((2,3-dihydro-6-methyl-1h-inden-5-yl)oxy)propyl)-4-phenyl-, dihydrochloride

Structural Information

Molecular Formula
C23H30N2O
SMILES
CC1=CC2=C(CCC2)C=C1OCCCN3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C23H30N2O/c1-19-17-20-7-5-8-21(20)18-23(19)26-16-6-11-24-12-14-25(15-13-24)22-9-3-2-4-10-22/h2-4,9-10,17-18H,5-8,11-16H2,1H3
InChIKey
RRRWYKSLGQJXIZ-UHFFFAOYSA-N
Compound name
1-[3-[(6-methyl-2,3-dihydro-1H-inden-5-yl)oxy]propyl]-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

350.2358 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.24308 188.7
[M+Na]+ 373.22502 192.4
[M-H]- 349.22852 194.8
[M+NH4]+ 368.26962 201.0
[M+K]+ 389.19896 186.0
[M+H-H2O]+ 333.23306 177.4
[M+HCOO]- 395.23400 203.5
[M+CH3COO]- 409.24965 196.8
[M+Na-2H]- 371.21047 187.8
[M]+ 350.23525 185.2
[M]- 350.23635 185.2
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

patents stripe