CID 53396011

2-amino-n-(2-amino-2-oxoethyl)-3-(1h-indol-3-yl)propanamide

Structural Information

Molecular Formula
C13H16N4O2
SMILES
C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NCC(=O)N)N
InChI
InChI=1S/C13H16N4O2/c14-10(13(19)17-7-12(15)18)5-8-6-16-11-4-2-1-3-9(8)11/h1-4,6,10,16H,5,7,14H2,(H2,15,18)(H,17,19)
InChIKey
AAERTEZFXPAESI-UHFFFAOYSA-N
Compound name
2-amino-N-(2-amino-2-oxoethyl)-3-(1H-indol-3-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

260.12732 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.13460 157.8
[M+Na]+ 283.11654 163.1
[M-H]- 259.12004 159.0
[M+NH4]+ 278.16114 173.6
[M+K]+ 299.09048 159.6
[M+H-H2O]+ 243.12458 150.2
[M+HCOO]- 305.12552 179.9
[M+CH3COO]- 319.14117 200.5
[M+Na-2H]- 281.10199 160.3
[M]+ 260.12677 154.5
[M]- 260.12787 154.5
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