CID 3078916

123202-93-7

Structural Information

Molecular Formula
C19H29N3O
SMILES
CC1=CC(=C(C(=C1)C)NC(=O)CNC2CC3CCC(C2)N3C)C
InChI
InChI=1S/C19H29N3O/c1-12-7-13(2)19(14(3)8-12)21-18(23)11-20-15-9-16-5-6-17(10-15)22(16)4/h7-8,15-17,20H,5-6,9-11H2,1-4H3,(H,21,23)
InChIKey
JQLREFZYTKLXOJ-UHFFFAOYSA-N
Compound name
2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-N-(2,4,6-trimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.23105 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.238326 179.0
[M+Na]+ 338.220268 183.8
[M-H]- 314.223774 183.2
[M+NH4]+ 333.264873 195.5
[M+K]+ 354.194208 179.3
[M+H-H2O]+ 298.228310 171.3
[M+HCOO]- 360.229251 196.3
[M+CH3COO]- 374.244901 217.0
[M+Na-2H]- 336.205716 178.2
[M]+ 315.23050142 176.7
[M]- 315.23159858 176.7
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.