CID 64527

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

Structural Information

Molecular Formula
C22H32N2O2
SMILES
CC1(C2CC3CN1CC(C2)C3(C)NC(=O)CCC4=CC=C(C=C4)OC)C
InChI
InChI=1S/C22H32N2O2/c1-21(2)16-11-17-13-24(21)14-18(12-16)22(17,3)23-20(25)10-7-15-5-8-19(26-4)9-6-15/h5-6,8-9,16-18H,7,10-14H2,1-4H3,(H,23,25)
InChIKey
YCVXNUYVKYLCDA-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-N-(4,8,8-trimethyl-1-azatricyclo[3.3.1.13,7]decan-4-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

356.24637 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.253646 189.3
[M+Na]+ 379.235588 191.2
[M-H]- 355.239094 185.7
[M+NH4]+ 374.280193 209.4
[M+K]+ 395.209528 186.9
[M+H-H2O]+ 339.243630 179.3
[M+HCOO]- 401.244571 193.4
[M+CH3COO]- 415.260221 195.1
[M+Na-2H]- 377.221036 196.3
[M]+ 356.24582142 191.9
[M]- 356.24691858 191.9
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