CID 366645

Nsc635320

Structural Information

Molecular Formula
C18H15Cl2NO3
SMILES
CC1=CC(=CC2=C1NC(=O)C2(C(C)C(=O)C3=CC=C(C=C3)Cl)O)Cl
InChI
InChI=1S/C18H15Cl2NO3/c1-9-7-13(20)8-14-15(9)21-17(23)18(14,24)10(2)16(22)11-3-5-12(19)6-4-11/h3-8,10,24H,1-2H3,(H,21,23)
InChIKey
PQRBZIDVWQNJIV-UHFFFAOYSA-N
Compound name
5-chloro-3-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-3-hydroxy-7-methyl-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.0429 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.05018 178.4
[M+Na]+ 386.03212 189.1
[M-H]- 362.03562 182.5
[M+NH4]+ 381.07672 194.9
[M+K]+ 402.00606 181.4
[M+H-H2O]+ 346.04016 173.7
[M+HCOO]- 408.04110 185.8
[M+CH3COO]- 422.05675 209.3
[M+Na-2H]- 384.01757 177.5
[M]+ 363.04235 181.5
[M]- 363.04345 181.5
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.