CID 366690

Nsc635407

Structural Information

Molecular Formula
C21H16ClNO3
SMILES
CC1=C(C=CC2=C1NC(=O)C2(CC(=O)C3=CC4=CC=CC=C4C=C3)O)Cl
InChI
InChI=1S/C21H16ClNO3/c1-12-17(22)9-8-16-19(12)23-20(25)21(16,26)11-18(24)15-7-6-13-4-2-3-5-14(13)10-15/h2-10,26H,11H2,1H3,(H,23,25)
InChIKey
YUGRSHNMRUJTHB-UHFFFAOYSA-N
Compound name
6-chloro-3-hydroxy-7-methyl-3-(2-naphthalen-2-yl-2-oxoethyl)-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.08188 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.08916 185.0
[M+Na]+ 388.07110 195.6
[M-H]- 364.07460 190.3
[M+NH4]+ 383.11570 201.6
[M+K]+ 404.04504 187.3
[M+H-H2O]+ 348.07914 178.1
[M+HCOO]- 410.08008 196.8
[M+CH3COO]- 424.09573 195.3
[M+Na-2H]- 386.05655 186.7
[M]+ 365.08133 187.1
[M]- 365.08243 187.1
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.