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]+ 316.23833 179.0
[M+Na]+ 338.22027 183.8
[M-H]- 314.22377 183.2
[M+NH4]+ 333.26487 195.5
[M+K]+ 354.19421 179.3
[M+H-H2O]+ 298.22831 171.3
[M+HCOO]- 360.22925 196.3
[M+CH3COO]- 374.24490 217.0
[M+Na-2H]- 336.20572 178.2
[M]+ 315.23050 176.7
[M]- 315.23160 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.