CID 24885301

Ec 700-662-7

Structural Information

Molecular Formula
C28H34BrNO
SMILES
CC(C)N(CC[C@H](C1=CC=CC=C1)C2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)C(C)C
InChI
InChI=1S/C28H34BrNO/c1-21(2)30(22(3)4)18-17-26(24-13-9-6-10-14-24)27-19-25(29)15-16-28(27)31-20-23-11-7-5-8-12-23/h5-16,19,21-22,26H,17-18,20H2,1-4H3/t26-/m1/s1
InChIKey
UCYJWCSOSZIQLQ-AREMUKBSSA-N
Compound name
(3R)-3-(5-bromo-2-phenylmethoxyphenyl)-3-phenyl-N,N-di(propan-2-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
Patents

479.18237 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.18965 217.4
[M+Na]+ 502.17159 221.4
[M-H]- 478.17509 228.3
[M+NH4]+ 497.21619 228.3
[M+K]+ 518.14553 209.7
[M+H-H2O]+ 462.17963 212.8
[M+HCOO]- 524.18057 234.0
[M+CH3COO]- 538.19622 240.4
[M+Na-2H]- 500.15704 215.3
[M]+ 479.18182 237.3
[M]- 479.18292 237.3
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