CID 22722278

393835-65-9

Structural Information

Molecular Formula
C12H15N3O
SMILES
CC(=O)NCCC1=CNC2=C1C=C(C=C2)N
InChI
InChI=1S/C12H15N3O/c1-8(16)14-5-4-9-7-15-12-3-2-10(13)6-11(9)12/h2-3,6-7,15H,4-5,13H2,1H3,(H,14,16)
InChIKey
SHBKRHCDWOOOIB-UHFFFAOYSA-N
Compound name
N-[2-(5-amino-1H-indol-3-yl)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

217.1215 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.12878 147.6
[M+Na]+ 240.11072 155.8
[M-H]- 216.11422 149.7
[M+NH4]+ 235.15532 166.5
[M+K]+ 256.08466 151.4
[M+H-H2O]+ 200.11876 140.9
[M+HCOO]- 262.11970 171.4
[M+CH3COO]- 276.13535 190.6
[M+Na-2H]- 238.09617 152.7
[M]+ 217.12095 146.6
[M]- 217.12205 146.6
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