CID 184844

Benderizine

Structural Information

Molecular Formula
C28H34N2O2
SMILES
C[C@]1(CN(CCN1C)C(C2=CC=CC=C2)C3=CC=CC=C3)CC4=CC(=C(C=C4)OC)OC
InChI
InChI=1S/C28H34N2O2/c1-28(20-22-15-16-25(31-3)26(19-22)32-4)21-30(18-17-29(28)2)27(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-16,19,27H,17-18,20-21H2,1-4H3/t28-/m1/s1
InChIKey
HBIDWFPFQACMBQ-MUUNZHRXSA-N
Compound name
(2R)-4-benzhydryl-2-[(3,4-dimethoxyphenyl)methyl]-1,2-dimethylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

430.26202 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.269296 211.0
[M+Na]+ 453.251238 214.8
[M-H]- 429.254744 219.4
[M+NH4]+ 448.295843 218.7
[M+K]+ 469.225178 208.9
[M+H-H2O]+ 413.259280 197.3
[M+HCOO]- 475.260221 225.1
[M+CH3COO]- 489.275871 217.8
[M+Na-2H]- 451.236686 210.1
[M]+ 430.26147142 209.6
[M]- 430.26256858 209.6
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.