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 167.7
[M+Na]+ 312.20464 167.9
[M-H]- 288.20814 172.2
[M+NH4]+ 307.24924 179.1
[M+K]+ 328.17858 170.6
[M+H-H2O]+ 272.21268 157.6
[M+HCOO]- 334.21362 183.7
[M+CH3COO]- 348.22927 208.1
[M+Na-2H]- 310.19009 168.7
[M]+ 289.21487 161.7
[M]- 289.21597 161.7
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.