CID 64530

N-(p-methoxybenzoyl)-4-amino-4,8,8-trimethyl-1-azaadamantane

Structural Information

Molecular Formula
C20H28N2O2
SMILES
CC1(C2CC3CN1CC(C2)C3(C)NC(=O)C4=CC=C(C=C4)OC)C
InChI
InChI=1S/C20H28N2O2/c1-19(2)14-9-15-11-22(19)12-16(10-14)20(15,3)21-18(23)13-5-7-17(24-4)8-6-13/h5-8,14-16H,9-12H2,1-4H3,(H,21,23)
InChIKey
XSNRABBXLAJFTD-UHFFFAOYSA-N
Compound name
4-methoxy-N-(4,8,8-trimethyl-1-azatricyclo[3.3.1.13,7]decan-4-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

328.2151 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.22238 180.5
[M+Na]+ 351.20432 183.3
[M-H]- 327.20782 177.4
[M+NH4]+ 346.24892 201.8
[M+K]+ 367.17826 179.4
[M+H-H2O]+ 311.21236 170.9
[M+HCOO]- 373.21330 185.4
[M+CH3COO]- 387.22895 187.2
[M+Na-2H]- 349.18977 188.6
[M]+ 328.21455 182.6
[M]- 328.21565 182.6
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