CID 3041492

Brn 0418105

Structural Information

Molecular Formula
C19H31N3O
SMILES
CCC(=O)N(C1=CC=CC=N1)C(C)CN2CCCC(CC2)(C)C
InChI
InChI=1S/C19H31N3O/c1-5-18(23)22(17-9-6-7-12-20-17)16(2)15-21-13-8-10-19(3,4)11-14-21/h6-7,9,12,16H,5,8,10-11,13-15H2,1-4H3
InChIKey
SKLPPQZDVLRACL-UHFFFAOYSA-N
Compound name
N-[1-(4,4-dimethylazepan-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

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.25398 176.2
[M+Na]+ 340.23592 184.2
[M+NH4]+ 335.28052 183.3
[M+K]+ 356.20986 178.1
[M-H]- 316.23942 178.7
[M+Na-2H]- 338.22137 182.7
[M]+ 317.24615 178.0
[M]- 317.24725 178.0
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.