CID 64531

Benzeneacetamide, n-(4,8,8-trimethyl-1-azatricyclo(3.3.1.1(sup 3,7))dec-4-yl)-

Structural Information

Molecular Formula
C20H28N2O
SMILES
CC1(C2CC3CN1CC(C2)C3(C)NC(=O)CC4=CC=CC=C4)C
InChI
InChI=1S/C20H28N2O/c1-19(2)15-10-16-12-22(19)13-17(11-15)20(16,3)21-18(23)9-14-7-5-4-6-8-14/h4-8,15-17H,9-13H2,1-3H3,(H,21,23)
InChIKey
DUOANANYKYXIQY-UHFFFAOYSA-N
Compound name
2-phenyl-N-(4,8,8-trimethyl-1-azatricyclo[3.3.1.13,7]decan-4-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

312.22015 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.227426 177.1
[M+Na]+ 335.209368 179.3
[M-H]- 311.212874 173.8
[M+NH4]+ 330.253973 198.9
[M+K]+ 351.183308 174.5
[M+H-H2O]+ 295.217410 167.2
[M+HCOO]- 357.218351 182.0
[M+CH3COO]- 371.234001 183.7
[M+Na-2H]- 333.194816 185.4
[M]+ 312.21960142 177.3
[M]- 312.22069858 177.3
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

patents stripe