CID 3041504

Brn 0445545

Structural Information

Molecular Formula
C22H29N3O
SMILES
CCC(=O)N(C1=NC=CC(=C1)C2=CC=CC=C2)C(C)CN3CCCCC3
InChI
InChI=1S/C22H29N3O/c1-3-22(26)25(18(2)17-24-14-8-5-9-15-24)21-16-20(12-13-23-21)19-10-6-4-7-11-19/h4,6-7,10-13,16,18H,3,5,8-9,14-15,17H2,1-2H3
InChIKey
OUOGNMBGCQELKA-UHFFFAOYSA-N
Compound name
N-(4-phenylpyridin-2-yl)-N-(1-piperidin-1-ylpropan-2-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.23105 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.23833 188.0
[M+Na]+ 374.22027 200.2
[M+NH4]+ 369.26487 195.3
[M+K]+ 390.19421 192.5
[M-H]- 350.22377 193.9
[M+Na-2H]- 372.20572 196.8
[M]+ 351.23050 191.3
[M]- 351.23160 191.3
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.