CID 3041475

Brn 0418010

Structural Information

Molecular Formula
C17H27N3O
SMILES
CCC(=O)N(C1=CC=CC=N1)C(C)CN2CCCCCC2
InChI
InChI=1S/C17H27N3O/c1-3-17(21)20(16-10-6-7-11-18-16)15(2)14-19-12-8-4-5-9-13-19/h6-7,10-11,15H,3-5,8-9,12-14H2,1-2H3
InChIKey
WFJASDRFZPIHFB-UHFFFAOYSA-N
Compound name
N-[1-(azepan-1-yl)propan-2-yl]-N-pyridin-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.21542 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.22270 170.1
[M+Na]+ 312.20464 178.0
[M+NH4]+ 307.24924 176.2
[M+K]+ 328.17858 173.6
[M-H]- 288.20814 172.7
[M+Na-2H]- 310.19009 175.8
[M]+ 289.21487 171.7
[M]- 289.21597 171.7
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.