CID 28492663

2-(5-chloro-2,3-dioxo-2,3-dihydro-1h-indol-1-yl)-n-(prop-2-yn-1-yl)acetamide

Structural Information

Molecular Formula
C13H9ClN2O3
SMILES
C#CCNC(=O)CN1C2=C(C=C(C=C2)Cl)C(=O)C1=O
InChI
InChI=1S/C13H9ClN2O3/c1-2-5-15-11(17)7-16-10-4-3-8(14)6-9(10)12(18)13(16)19/h1,3-4,6H,5,7H2,(H,15,17)
InChIKey
LDBJZDVCSHAGIY-UHFFFAOYSA-N
Compound name
2-(5-chloro-2,3-dioxoindol-1-yl)-N-prop-2-ynylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.03018 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.03746 161.8
[M+Na]+ 299.01940 174.2
[M-H]- 275.02290 163.4
[M+NH4]+ 294.06400 178.1
[M+K]+ 314.99334 166.7
[M+H-H2O]+ 259.02744 150.0
[M+HCOO]- 321.02838 174.1
[M+CH3COO]- 335.04403 205.5
[M+Na-2H]- 297.00485 162.5
[M]+ 276.02963 159.3
[M]- 276.03073 159.3
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.