CID 3060436

78114-61-1

Structural Information

Molecular Formula
C22H28N2O
SMILES
C1CC2=C(C1)C=C(C=C2)OCCCN3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C22H28N2O/c1-2-8-21(9-3-1)24-15-13-23(14-16-24)12-5-17-25-22-11-10-19-6-4-7-20(19)18-22/h1-3,8-11,18H,4-7,12-17H2
InChIKey
VFBPPABIDTWTQC-UHFFFAOYSA-N
Compound name
1-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

336.22015 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.22743 183.6
[M+Na]+ 359.20937 186.7
[M-H]- 335.21287 189.4
[M+NH4]+ 354.25397 196.1
[M+K]+ 375.18331 180.6
[M+H-H2O]+ 319.21741 172.2
[M+HCOO]- 381.21835 198.7
[M+CH3COO]- 395.23400 191.7
[M+Na-2H]- 357.19482 183.9
[M]+ 336.21960 179.3
[M]- 336.22070 179.3
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

patents stripe