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]+ 335.21178 181.1
[M+Na]+ 357.19372 185.5
[M-H]- 333.19722 179.1
[M+NH4]+ 352.23832 201.7
[M+K]+ 373.16766 179.0
[M+H-H2O]+ 317.20176 166.9
[M+HCOO]- 379.20270 184.1
[M+CH3COO]- 393.21835 187.4
[M+Na-2H]- 355.17917 191.1
[M]+ 334.20395 180.7
[M]- 334.20505 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.