CID 34200

N-benzoylisatin

Structural Information

Molecular Formula
C15H9NO3
SMILES
C1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3C(=O)C2=O
InChI
InChI=1S/C15H9NO3/c17-13-11-8-4-5-9-12(11)16(15(13)19)14(18)10-6-2-1-3-7-10/h1-9H
InChIKey
YKLHWMNKDGZBAX-UHFFFAOYSA-N
Compound name
1-benzoylindole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

14
Patents

251.05824 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.06552 153.4
[M+Na]+ 274.04746 163.0
[M-H]- 250.05096 160.4
[M+NH4]+ 269.09206 171.9
[M+K]+ 290.02140 158.8
[M+H-H2O]+ 234.05550 146.0
[M+HCOO]- 296.05644 175.5
[M+CH3COO]- 310.07209 192.9
[M+Na-2H]- 272.03291 157.1
[M]+ 251.05769 154.1
[M]- 251.05879 154.1
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