CID 366694

Nsc635411

Structural Information

Molecular Formula
C16H12Cl2N2O3
SMILES
C1=CC(=CC=C1C(=O)CC2(C3=C(C(=CC(=C3)Cl)Cl)NC2=O)O)N
InChI
InChI=1S/C16H12Cl2N2O3/c17-9-5-11-14(12(18)6-9)20-15(22)16(11,23)7-13(21)8-1-3-10(19)4-2-8/h1-6,23H,7,19H2,(H,20,22)
InChIKey
ZIRWQNRDRRETNY-UHFFFAOYSA-N
Compound name
3-[2-(4-aminophenyl)-2-oxoethyl]-5,7-dichloro-3-hydroxy-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.0225 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.02978 175.3
[M+Na]+ 373.01172 186.3
[M-H]- 349.01522 179.0
[M+NH4]+ 368.05632 191.8
[M+K]+ 388.98566 178.2
[M+H-H2O]+ 333.01976 170.5
[M+HCOO]- 395.02070 184.7
[M+CH3COO]- 409.03635 185.8
[M+Na-2H]- 370.99717 176.0
[M]+ 350.02195 176.7
[M]- 350.02305 176.7
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.