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 221.9
[M+Na]+ 502.30402 218.5
[M-H]- 478.30752 228.0
[M+NH4]+ 497.34862 226.3
[M+K]+ 518.27796 215.0
[M+H-H2O]+ 462.31206 209.1
[M+HCOO]- 524.31300 237.1
[M+CH3COO]- 538.32865 246.1
[M+Na-2H]- 500.28947 218.0
[M]+ 479.31425 220.5
[M]- 479.31535 220.5
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.