CID 1858

6-chloromelatonin

Structural Information

Molecular Formula
C13H15ClN2O2
SMILES
CC(=O)NCCC1=CNC2=CC(=C(C=C21)OC)Cl
InChI
InChI=1S/C13H15ClN2O2/c1-8(17)15-4-3-9-7-16-12-6-11(14)13(18-2)5-10(9)12/h5-7,16H,3-4H2,1-2H3,(H,15,17)
InChIKey
LUINDDOUWHRIPW-UHFFFAOYSA-N
Compound name
N-[2-(6-chloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

72
References

487
Patents

266.0822 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.08948 157.7
[M+Na]+ 289.07142 170.3
[M+NH4]+ 284.11602 165.3
[M+K]+ 305.04536 165.3
[M-H]- 265.07492 159.0
[M+Na-2H]- 287.05687 162.5
[M]+ 266.08165 160.0
[M]- 266.08275 160.0
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

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