CID 366640

Nsc635315

Structural Information

Molecular Formula
C18H16ClNO3
SMILES
CC1=CC=C(C=C1)C(=O)CC2(C3=C(C(=CC(=C3)Cl)C)NC2=O)O
InChI
InChI=1S/C18H16ClNO3/c1-10-3-5-12(6-4-10)15(21)9-18(23)14-8-13(19)7-11(2)16(14)20-17(18)22/h3-8,23H,9H2,1-2H3,(H,20,22)
InChIKey
SIKDAOIHNMSSBI-UHFFFAOYSA-N
Compound name
5-chloro-3-hydroxy-7-methyl-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.08188 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.08916 174.2
[M+Na]+ 352.07110 184.9
[M-H]- 328.07460 178.8
[M+NH4]+ 347.11570 191.7
[M+K]+ 368.04504 177.6
[M+H-H2O]+ 312.07914 168.5
[M+HCOO]- 374.08008 187.5
[M+CH3COO]- 388.09573 204.2
[M+Na-2H]- 350.05655 174.9
[M]+ 329.08133 176.5
[M]- 329.08243 176.5
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.