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]+ 253.073836 155.8
[M+Na]+ 275.055778 163.5
[M-H]- 251.059284 157.5
[M+NH4]+ 270.100383 174.3
[M+K]+ 291.029718 158.4
[M+H-H2O]+ 235.063820 150.2
[M+HCOO]- 297.064761 171.0
[M+CH3COO]- 311.080411 192.6
[M+Na-2H]- 273.041226 157.8
[M]+ 252.06601142 155.7
[M]- 252.06710858 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.