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

12
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.