CID 28306

Brn 1602298

Structural Information

Molecular Formula
C24H30N2O
SMILES
CCCC1(N2CC3(CN1CC(C2)(C3O)C4=CC=CC=C4)C5=CC=CC=C5)C
InChI
InChI=1S/C24H30N2O/c1-3-14-22(2)25-15-23(19-10-6-4-7-11-19)16-26(22)18-24(17-25,21(23)27)20-12-8-5-9-13-20/h4-13,21,27H,3,14-18H2,1-2H3
InChIKey
GGBPTCDMNBYSBA-UHFFFAOYSA-N
Compound name
2-methyl-5,7-diphenyl-2-propyl-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

362.2358 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.24308 189.6
[M+Na]+ 385.22502 193.0
[M-H]- 361.22852 187.0
[M+NH4]+ 380.26962 208.9
[M+K]+ 401.19896 186.1
[M+H-H2O]+ 345.23306 174.9
[M+HCOO]- 407.23400 191.7
[M+CH3COO]- 421.24965 194.9
[M+Na-2H]- 383.21047 198.4
[M]+ 362.23525 189.5
[M]- 362.23635 189.5
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.