CID 3041476

Brn 0422209

Structural Information

Molecular Formula
C18H29N3O
SMILES
CCC(=O)N(C1=CC=CC=N1)C(C)CN2CCCCCCC2
InChI
InChI=1S/C18H29N3O/c1-3-18(22)21(17-11-7-8-12-19-17)16(2)15-20-13-9-5-4-6-10-14-20/h7-8,11-12,16H,3-6,9-10,13-15H2,1-2H3
InChIKey
ZAKRUFYPGHWTBY-UHFFFAOYSA-N
Compound name
N-[1-(azocan-1-yl)propan-2-yl]-N-pyridin-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.23105 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.238326 164.6
[M+Na]+ 326.220268 166.8
[M-H]- 302.223774 166.3
[M+NH4]+ 321.264873 170.0
[M+K]+ 342.194208 166.8
[M+H-H2O]+ 286.228310 159.0
[M+HCOO]- 348.229251 171.6
[M+CH3COO]- 362.244901 234.0
[M+Na-2H]- 324.205716 162.9
[M]+ 303.23050142 162.7
[M]- 303.23159858 162.7
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.