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]+ 304.23833 164.6
[M+Na]+ 326.22027 166.8
[M-H]- 302.22377 166.3
[M+NH4]+ 321.26487 170.0
[M+K]+ 342.19421 166.8
[M+H-H2O]+ 286.22831 159.0
[M+HCOO]- 348.22925 171.6
[M+CH3COO]- 362.24490 234.0
[M+Na-2H]- 324.20572 162.9
[M]+ 303.23050 162.7
[M]- 303.23160 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.