CID 42174

Cr 630

Structural Information

Molecular Formula
C29H41N3O3
SMILES
CCCN(CCC)C(=O)C(CC1=CC=C(C=C1)OCCN2CCCCC2)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C29H41N3O3/c1-3-17-32(18-4-2)29(34)27(30-28(33)25-11-7-5-8-12-25)23-24-13-15-26(16-14-24)35-22-21-31-19-9-6-10-20-31/h5,7-8,11-16,27H,3-4,6,9-10,17-23H2,1-2H3,(H,30,33)
InChIKey
FCNPQUCYVKEUJQ-UHFFFAOYSA-N
Compound name
N-[1-(dipropylamino)-1-oxo-3-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.3148 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.32208 222.4
[M+Na]+ 502.30402 230.6
[M+NH4]+ 497.34862 227.1
[M+K]+ 518.27796 223.4
[M-H]- 478.30752 227.5
[M+Na-2H]- 500.28947 228.1
[M]+ 479.31425 224.6
[M]- 479.31535 224.6
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.