CID 16495690

2-chloro-n-[2-(1h-indol-3-yl)ethyl]propanamide

Structural Information

Molecular Formula
C13H15ClN2O
SMILES
CC(C(=O)NCCC1=CNC2=CC=CC=C21)Cl
InChI
InChI=1S/C13H15ClN2O/c1-9(14)13(17)15-7-6-10-8-16-12-5-3-2-4-11(10)12/h2-5,8-9,16H,6-7H2,1H3,(H,15,17)
InChIKey
FUGAXVJSGRGEBU-UHFFFAOYSA-N
Compound name
2-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.0873 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.09458 156.3
[M+Na]+ 273.07652 164.5
[M-H]- 249.08002 158.1
[M+NH4]+ 268.12112 174.9
[M+K]+ 289.05046 158.7
[M+H-H2O]+ 233.08456 150.1
[M+HCOO]- 295.08550 173.6
[M+CH3COO]- 309.10115 192.5
[M+Na-2H]- 271.06197 160.2
[M]+ 250.08675 158.4
[M]- 250.08785 158.4
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.