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]+ 357.25365 189.3
[M+Na]+ 379.23559 191.2
[M-H]- 355.23909 185.7
[M+NH4]+ 374.28019 209.4
[M+K]+ 395.20953 186.9
[M+H-H2O]+ 339.24363 179.3
[M+HCOO]- 401.24457 193.4
[M+CH3COO]- 415.26022 195.1
[M+Na-2H]- 377.22104 196.3
[M]+ 356.24582 191.9
[M]- 356.24692 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