CID 384240

79087-58-4

Structural Information

Molecular Formula
C12H13ClN2O
SMILES
CC(=O)NCCC1=CNC2=C1C=C(C=C2)Cl
InChI
InChI=1S/C12H13ClN2O/c1-8(16)14-5-4-9-7-15-12-3-2-10(13)6-11(9)12/h2-3,6-7,15H,4-5H2,1H3,(H,14,16)
InChIKey
WJIFPSFOSMKSAB-UHFFFAOYSA-N
Compound name
N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
Patents

236.07164 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.07892 151.3
[M+Na]+ 259.06086 161.2
[M-H]- 235.06436 153.6
[M+NH4]+ 254.10546 171.0
[M+K]+ 275.03480 155.2
[M+H-H2O]+ 219.06890 145.6
[M+HCOO]- 281.06984 170.0
[M+CH3COO]- 295.08549 189.8
[M+Na-2H]- 257.04631 156.3
[M]+ 236.07109 154.0
[M]- 236.07219 154.0
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