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]+ 337.227426 183.6
[M+Na]+ 359.209368 186.7
[M-H]- 335.212874 189.4
[M+NH4]+ 354.253973 196.1
[M+K]+ 375.183308 180.6
[M+H-H2O]+ 319.217410 172.2
[M+HCOO]- 381.218351 198.7
[M+CH3COO]- 395.234001 191.7
[M+Na-2H]- 357.194816 183.9
[M]+ 336.21960142 179.3
[M]- 336.22069858 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