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 231.7
[M+Na]+ 568.21452 233.4
[M-H]- 544.21802 240.3
[M+NH4]+ 563.25912 240.1
[M+K]+ 584.18846 222.6
[M+H-H2O]+ 528.22256 225.2
[M+HCOO]- 590.22350 250.0
[M+CH3COO]- 604.23915 257.9
[M+Na-2H]- 566.19997 227.8
[M]+ 545.22475 254.9
[M]- 545.22585 254.9
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

patents stripe