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]+ 277.037456 161.8
[M+Na]+ 299.019398 174.2
[M-H]- 275.022904 163.4
[M+NH4]+ 294.064003 178.1
[M+K]+ 314.993338 166.7
[M+H-H2O]+ 259.027440 150.0
[M+HCOO]- 321.028381 174.1
[M+CH3COO]- 335.044031 205.5
[M+Na-2H]- 297.004846 162.5
[M]+ 276.02963142 159.3
[M]- 276.03072858 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.