CID 29321

Phenisatin

Structural Information

Molecular Formula
C26H21NO6
SMILES
CC(=O)N1C2=CC=CC=C2C(C1=O)(C3=CC=C(C=C3)OC(=O)C)C4=CC=C(C=C4)OC(=O)C
InChI
InChI=1S/C26H21NO6/c1-16(28)27-24-7-5-4-6-23(24)26(25(27)31,19-8-12-21(13-9-19)32-17(2)29)20-10-14-22(15-11-20)33-18(3)30/h4-15H,1-3H3
InChIKey
JPGUEMQIAGJQSJ-UHFFFAOYSA-N
Compound name
[4-[1-acetyl-3-(4-acetyloxyphenyl)-2-oxoindol-3-yl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

33
Patents

443.1369 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.14418 204.5
[M+Na]+ 466.12612 212.0
[M-H]- 442.12962 214.5
[M+NH4]+ 461.17072 216.4
[M+K]+ 482.10006 208.6
[M+H-H2O]+ 426.13416 195.1
[M+HCOO]- 488.13510 222.4
[M+CH3COO]- 502.15075 230.0
[M+Na-2H]- 464.11157 202.8
[M]+ 443.13635 209.5
[M]- 443.13745 209.5
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