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]+ 218.128776 147.6
[M+Na]+ 240.110718 155.8
[M-H]- 216.114224 149.7
[M+NH4]+ 235.155323 166.5
[M+K]+ 256.084658 151.4
[M+H-H2O]+ 200.118760 140.9
[M+HCOO]- 262.119701 171.4
[M+CH3COO]- 276.135351 190.6
[M+Na-2H]- 238.096166 152.7
[M]+ 217.12095142 146.6
[M]- 217.12204858 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