CID 112629

Brn 0570158

Structural Information

Molecular Formula
C22H26N2O2
SMILES
CN1CC2CCC(C1)N2C(=O)C(CO)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H26N2O2/c1-23-14-19-12-13-20(15-23)24(19)21(26)22(16-25,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,19-20,25H,12-16H2,1H3
InChIKey
OCAKLJJBSJLFGA-UHFFFAOYSA-N
Compound name
3-hydroxy-1-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2,2-diphenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.19943 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.20671 185.9
[M+Na]+ 373.18865 197.4
[M+NH4]+ 368.23325 193.5
[M+K]+ 389.16259 192.2
[M-H]- 349.19215 189.0
[M+Na-2H]- 371.17410 191.3
[M]+ 350.19888 188.3
[M]- 350.19998 188.3
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

No patent data available for this compound.