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 187.9
[M+Na]+ 374.22027 188.9
[M-H]- 350.22377 194.0
[M+NH4]+ 369.26487 197.0
[M+K]+ 390.19421 184.9
[M+H-H2O]+ 334.22831 175.9
[M+HCOO]- 396.22925 203.7
[M+CH3COO]- 410.24490 219.7
[M+Na-2H]- 372.20572 188.1
[M]+ 351.23050 184.0
[M]- 351.23160 184.0
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.