CID 5411409

Nsc682575

Structural Information

Molecular Formula
C13H11NO4
SMILES
CC(=O)N1C2=CC=CC=C2/C(=C/C(=O)OC)/C1=O
InChI
InChI=1S/C13H11NO4/c1-8(15)14-11-6-4-3-5-9(11)10(13(14)17)7-12(16)18-2/h3-7H,1-2H3/b10-7-
InChIKey
ASWBFUSHNDQBPA-YFHOEESVSA-N
Compound name
methyl (2Z)-2-(1-acetyl-2-oxoindol-3-ylidene)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.0688 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.076076 151.7
[M+Na]+ 268.058018 160.9
[M-H]- 244.061524 155.4
[M+NH4]+ 263.102623 170.9
[M+K]+ 284.031958 158.4
[M+H-H2O]+ 228.066060 145.7
[M+HCOO]- 290.067001 172.5
[M+CH3COO]- 304.082651 191.9
[M+Na-2H]- 266.043466 153.3
[M]+ 245.06825142 154.3
[M]- 245.06934858 154.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.