CID 42219

Cr 631

Structural Information

Molecular Formula
C28H40BrN3O3
SMILES
CCCN(CCC)C(=O)C(CC1=CC=C(C=C1)OCCN(CC)CC)NC(=O)C2=CC=C(C=C2)Br
InChI
InChI=1S/C28H40BrN3O3/c1-5-17-32(18-6-2)28(34)26(30-27(33)23-11-13-24(29)14-12-23)21-22-9-15-25(16-10-22)35-20-19-31(7-3)8-4/h9-16,26H,5-8,17-21H2,1-4H3,(H,30,33)
InChIKey
YLDQIABNRZYWAP-UHFFFAOYSA-N
Compound name
4-bromo-N-[3-[4-[2-(diethylamino)ethoxy]phenyl]-1-(dipropylamino)-1-oxopropan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

545.2253 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 546.23258 223.4
[M+Na]+ 568.21452 222.2
[M+NH4]+ 563.25912 224.4
[M+K]+ 584.18846 221.6
[M-H]- 544.21802 225.6
[M+Na-2H]- 566.19997 224.4
[M]+ 545.22475 222.4
[M]- 545.22585 222.4
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.