CID 54592510

2-chloro-n-[1-(2-oxo-2,3-dihydro-1h-indol-5-yl)ethyl]acetamide

Structural Information

Molecular Formula
C12H13ClN2O2
SMILES
CC(C1=CC2=C(C=C1)NC(=O)C2)NC(=O)CCl
InChI
InChI=1S/C12H13ClN2O2/c1-7(14-12(17)6-13)8-2-3-10-9(4-8)5-11(16)15-10/h2-4,7H,5-6H2,1H3,(H,14,17)(H,15,16)
InChIKey
OIUCXAHCSVZEBW-UHFFFAOYSA-N
Compound name
2-chloro-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.06656 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.07384 155.8
[M+Na]+ 275.05578 163.5
[M-H]- 251.05928 157.5
[M+NH4]+ 270.10038 174.3
[M+K]+ 291.02972 158.4
[M+H-H2O]+ 235.06382 150.2
[M+HCOO]- 297.06476 171.0
[M+CH3COO]- 311.08041 192.6
[M+Na-2H]- 273.04123 157.8
[M]+ 252.06601 155.7
[M]- 252.06711 155.7
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.