CID 28305

Brn 1597766

Structural Information

Molecular Formula
C22H26N2O
SMILES
CC1(N2CC3(CN1CC(C2)(C3O)C4=CC=CC=C4)C5=CC=CC=C5)C
InChI
InChI=1S/C22H26N2O/c1-20(2)23-13-21(17-9-5-3-6-10-17)14-24(20)16-22(15-23,19(21)25)18-11-7-4-8-12-18/h3-12,19,25H,13-16H2,1-2H3
InChIKey
AHQHHTGIDVUJMH-UHFFFAOYSA-N
Compound name
2,2-dimethyl-5,7-diphenyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.2045 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.211776 181.1
[M+Na]+ 357.193718 185.5
[M-H]- 333.197224 179.1
[M+NH4]+ 352.238323 201.7
[M+K]+ 373.167658 179.0
[M+H-H2O]+ 317.201760 166.9
[M+HCOO]- 379.202701 184.1
[M+CH3COO]- 393.218351 187.4
[M+Na-2H]- 355.179166 191.1
[M]+ 334.20395142 180.7
[M]- 334.20504858 180.7
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.