CID 2738415

883228-08-8

Structural Information

Molecular Formula
C28H30N2O2
SMILES
CC1(CC2=C(O1)C(=CC=C2)C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C
InChI
InChI=1S/C28H30N2O2/c1-28(2)20-23-14-9-15-24(26(23)32-28)27(31)30-18-16-29(17-19-30)25(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-15,25H,16-20H2,1-2H3
InChIKey
BGAGKZRPSDCCIT-UHFFFAOYSA-N
Compound name
(4-benzhydrylpiperazin-1-yl)-(2,2-dimethyl-3H-1-benzofuran-7-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

426.23074 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.238016 207.5
[M+Na]+ 449.219958 210.9
[M-H]- 425.223464 217.5
[M+NH4]+ 444.264563 216.3
[M+K]+ 465.193898 205.7
[M+H-H2O]+ 409.228000 194.9
[M+HCOO]- 471.228941 219.1
[M+CH3COO]- 485.244591 214.4
[M+Na-2H]- 447.205406 205.2
[M]+ 426.23019142 203.2
[M]- 426.23128858 203.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.