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

479
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

literature stripe

Patent stripe

patents stripe