CID 366524

Nsc635133

Structural Information

Molecular Formula
C22H15Cl2NO3
SMILES
C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)C3(C4=C(C=CC(=C4NC3=O)Cl)Cl)O
InChI
InChI=1S/C22H15Cl2NO3/c23-15-11-12-16(24)19-18(15)22(28,21(27)25-19)17(13-7-3-1-4-8-13)20(26)14-9-5-2-6-10-14/h1-12,17,28H,(H,25,27)
InChIKey
VWMXTTTURNAMRN-UHFFFAOYSA-N
Compound name
4,7-dichloro-3-hydroxy-3-(2-oxo-1,2-diphenylethyl)-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.0429 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.05018 192.5
[M+Na]+ 434.03212 201.8
[M-H]- 410.03562 199.1
[M+NH4]+ 429.07672 206.0
[M+K]+ 450.00606 193.1
[M+H-H2O]+ 394.04016 185.2
[M+HCOO]- 456.04110 199.7
[M+CH3COO]- 470.05675 201.6
[M+Na-2H]- 432.01757 192.1
[M]+ 411.04235 194.4
[M]- 411.04345 194.4
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.