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]+ 246.07608 151.7
[M+Na]+ 268.05802 160.9
[M-H]- 244.06152 155.4
[M+NH4]+ 263.10262 170.9
[M+K]+ 284.03196 158.4
[M+H-H2O]+ 228.06606 145.7
[M+HCOO]- 290.06700 172.5
[M+CH3COO]- 304.08265 191.9
[M+Na-2H]- 266.04347 153.3
[M]+ 245.06825 154.3
[M]- 245.06935 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.