CID 366527

Nsc635136

Structural Information

Molecular Formula
C20H13Cl2NO3
SMILES
C1=CC=C2C=C(C=CC2=C1)C(=O)CC3(C4=C(C(=CC(=C4)Cl)Cl)NC3=O)O
InChI
InChI=1S/C20H13Cl2NO3/c21-14-8-15-18(16(22)9-14)23-19(25)20(15,26)10-17(24)13-6-5-11-3-1-2-4-12(11)7-13/h1-9,26H,10H2,(H,23,25)
InChIKey
GCHNDAJZGRASHZ-UHFFFAOYSA-N
Compound name
5,7-dichloro-3-hydroxy-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

385.02725 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.03453 185.6
[M+Na]+ 408.01647 197.0
[M-H]- 384.01997 190.3
[M+NH4]+ 403.06107 201.9
[M+K]+ 423.99041 188.0
[M+H-H2O]+ 368.02451 179.4
[M+HCOO]- 430.02545 192.8
[M+CH3COO]- 444.04110 195.6
[M+Na-2H]- 406.00192 187.2
[M]+ 385.02670 188.8
[M]- 385.02780 188.8
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.