CID 115447

63978-03-0

Structural Information

Molecular Formula
C22H26N2O2
SMILES
CN1C2CCC1CN(C2)C(=O)C(CO)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H26N2O2/c1-23-19-12-13-20(23)15-24(14-19)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
RXUYUUWQHGNNTA-UHFFFAOYSA-N
Compound name
3-hydroxy-1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-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]+ 351.206706 186.8
[M+Na]+ 373.188648 190.1
[M-H]- 349.192154 190.6
[M+NH4]+ 368.233253 198.9
[M+K]+ 389.162588 184.5
[M+H-H2O]+ 333.196690 177.3
[M+HCOO]- 395.197631 198.0
[M+CH3COO]- 409.213281 194.4
[M+Na-2H]- 371.174096 188.0
[M]+ 350.19888142 182.5
[M]- 350.19997858 182.5
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.