CID 3041477

Brn 0426390

Structural Information

Molecular Formula
C19H31N3O
SMILES
CCC(=O)N(C1=CC=CC=N1)C(C)CN2CCCCCCCC2
InChI
InChI=1S/C19H31N3O/c1-3-19(23)22(18-12-8-9-13-20-18)17(2)16-21-14-10-6-4-5-7-11-15-21/h8-9,12-13,17H,3-7,10-11,14-16H2,1-2H3
InChIKey
OAAIJZACNQYILJ-UHFFFAOYSA-N
Compound name
N-[1-(azonan-1-yl)propan-2-yl]-N-pyridin-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.2467 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.25398 196.4
[M+Na]+ 340.23592 196.6
[M-H]- 316.23942 195.6
[M+NH4]+ 335.28052 195.8
[M+K]+ 356.20986 195.1
[M+H-H2O]+ 300.24396 187.1
[M+HCOO]- 362.24490 196.5
[M+CH3COO]- 376.26055 197.1
[M+Na-2H]- 338.22137 197.9
[M]+ 317.24615 196.0
[M]- 317.24725 196.0
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.