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]+ 304.23833 171.8
[M+Na]+ 326.22027 172.5
[M-H]- 302.22377 176.6
[M+NH4]+ 321.26487 183.0
[M+K]+ 342.19421 175.1
[M+H-H2O]+ 286.22831 161.7
[M+HCOO]- 348.22925 187.5
[M+CH3COO]- 362.24490 212.0
[M+Na-2H]- 324.20572 171.6
[M]+ 303.23050 166.5
[M]- 303.23160 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.