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]+ 351.20671 186.8
[M+Na]+ 373.18865 190.1
[M-H]- 349.19215 190.6
[M+NH4]+ 368.23325 198.9
[M+K]+ 389.16259 184.5
[M+H-H2O]+ 333.19669 177.3
[M+HCOO]- 395.19763 198.0
[M+CH3COO]- 409.21328 194.4
[M+Na-2H]- 371.17410 188.0
[M]+ 350.19888 182.5
[M]- 350.19998 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.