CID 52951535

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

Structural Information

Molecular Formula
C17H24N4O2
SMILES
C1=CC=C2C(=C1)C(=CN2)C(=O)C(=O)NCCCNCCCCN
InChI
InChI=1S/C17H24N4O2/c18-8-3-4-9-19-10-5-11-20-17(23)16(22)14-12-21-15-7-2-1-6-13(14)15/h1-2,6-7,12,19,21H,3-5,8-11,18H2,(H,20,23)
InChIKey
TUOXXENDICUNMW-UHFFFAOYSA-N
Compound name
N-[3-(4-aminobutylamino)propyl]-2-(1H-indol-3-yl)-2-oxoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

316.1899 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.19718 174.1
[M+Na]+ 339.17912 177.8
[M-H]- 315.18262 174.8
[M+NH4]+ 334.22372 187.9
[M+K]+ 355.15306 173.1
[M+H-H2O]+ 299.18716 165.5
[M+HCOO]- 361.18810 196.5
[M+CH3COO]- 375.20375 212.0
[M+Na-2H]- 337.16457 176.9
[M]+ 316.18935 173.7
[M]- 316.19045 173.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe