CID 3041488

Brn 0422201

Structural Information

Molecular Formula
C18H29N3O
SMILES
CCC(=O)N(C1=CC=CC=N1)C(C)CN2CCCCC(C2)C
InChI
InChI=1S/C18H29N3O/c1-4-18(22)21(17-10-5-7-11-19-17)16(3)14-20-12-8-6-9-15(2)13-20/h5,7,10-11,15-16H,4,6,8-9,12-14H2,1-3H3
InChIKey
LLESLESWNRKIFU-UHFFFAOYSA-N
Compound name
N-[1-(3-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 174.2
[M+Na]+ 326.22027 182.2
[M+NH4]+ 321.26487 180.1
[M+K]+ 342.19421 177.8
[M-H]- 302.22377 176.8
[M+Na-2H]- 324.20572 179.4
[M]+ 303.23050 175.9
[M]- 303.23160 175.9
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.