CID 52950926

N-[3-(4-aminobutylamino)propyl]-2-(6-bromo-1h-indol-3-yl)-2-oxo-acetamide

Structural Information

Molecular Formula
C17H23BrN4O2
SMILES
C1=CC2=C(C=C1Br)NC=C2C(=O)C(=O)NCCCNCCCCN
InChI
InChI=1S/C17H23BrN4O2/c18-12-4-5-13-14(11-22-15(13)10-12)16(23)17(24)21-9-3-8-20-7-2-1-6-19/h4-5,10-11,20,22H,1-3,6-9,19H2,(H,21,24)
InChIKey
IAMCWSVWBJVYIO-UHFFFAOYSA-N
Compound name
N-[3-(4-aminobutylamino)propyl]-2-(6-bromo-1H-indol-3-yl)-2-oxoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

394.10043 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.10771 185.1
[M+Na]+ 417.08965 192.2
[M-H]- 393.09315 188.4
[M+NH4]+ 412.13425 199.5
[M+K]+ 433.06359 178.4
[M+H-H2O]+ 377.09769 181.3
[M+HCOO]- 439.09863 204.5
[M+CH3COO]- 453.11428 220.9
[M+Na-2H]- 415.07510 187.7
[M]+ 394.09988 203.1
[M]- 394.10098 203.1
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.