CID 4072297

N-{3-[{3-[benzyl(methyl)amino]propyl}(methyl)amino]propyl}-3-bromo-4-ethoxybenzamide

Structural Information

Molecular Formula
C24H34BrN3O2
SMILES
CCOC1=C(C=C(C=C1)C(=O)NCCCN(C)CCCN(C)CC2=CC=CC=C2)Br
InChI
InChI=1S/C24H34BrN3O2/c1-4-30-23-13-12-21(18-22(23)25)24(29)26-14-8-15-27(2)16-9-17-28(3)19-20-10-6-5-7-11-20/h5-7,10-13,18H,4,8-9,14-17,19H2,1-3H3,(H,26,29)
InChIKey
RQAJEDKYVHJCLC-UHFFFAOYSA-N
Compound name
N-[3-[3-[benzyl(methyl)amino]propyl-methylamino]propyl]-3-bromo-4-ethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

475.18344 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.19072 212.1
[M+Na]+ 498.17266 215.9
[M-H]- 474.17616 221.4
[M+NH4]+ 493.21726 223.6
[M+K]+ 514.14660 204.7
[M+H-H2O]+ 458.18070 206.2
[M+HCOO]- 520.18164 233.3
[M+CH3COO]- 534.19729 245.0
[M+Na-2H]- 496.15811 212.3
[M]+ 475.18289 234.7
[M]- 475.18399 234.7
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.