CID 8269

Oxyphenisatin acetate

Structural Information

Molecular Formula
C24H19NO5
SMILES
CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C
InChI
InChI=1S/C24H19NO5/c1-15(26)29-19-11-7-17(8-12-19)24(18-9-13-20(14-10-18)30-16(2)27)21-5-3-4-6-22(21)25-23(24)28/h3-14H,1-2H3,(H,25,28)
InChIKey
PHPUXYRXPHEJDF-UHFFFAOYSA-N
Compound name
[4-[3-(4-acetyloxyphenyl)-2-oxo-1H-indol-3-yl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

93
References

549
Patents

401.1263 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.13358 195.5
[M+Na]+ 424.11552 202.9
[M-H]- 400.11902 204.0
[M+NH4]+ 419.16012 208.4
[M+K]+ 440.08946 198.1
[M+H-H2O]+ 384.12356 186.2
[M+HCOO]- 446.12450 213.3
[M+CH3COO]- 460.14015 218.9
[M+Na-2H]- 422.10097 195.7
[M]+ 401.12575 197.5
[M]- 401.12685 197.5
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.