CID 3041487

Brn 0422202

Structural Information

Molecular Formula
C18H29N3O
SMILES
CCC(=O)N(C1=CC=CC=N1)C(C)CN2CCCCCC2C
InChI
InChI=1S/C18H29N3O/c1-4-18(22)21(17-11-7-8-12-19-17)16(3)14-20-13-9-5-6-10-15(20)2/h7-8,11-12,15-16H,4-6,9-10,13-14H2,1-3H3
InChIKey
OUVQIQHLNMDOEK-UHFFFAOYSA-N
Compound name
N-[1-(2-methylazepan-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

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.238326 171.8
[M+Na]+ 326.220268 172.5
[M-H]- 302.223774 176.6
[M+NH4]+ 321.264873 183.0
[M+K]+ 342.194208 175.1
[M+H-H2O]+ 286.228310 161.7
[M+HCOO]- 348.229251 187.5
[M+CH3COO]- 362.244901 212.0
[M+Na-2H]- 324.205716 171.6
[M]+ 303.23050142 166.5
[M]- 303.23159858 166.5
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.