CID 11581008

Chembl210543

Structural Information

Molecular Formula
C21H15NO4
SMILES
COC(=O)C1=CC2=C(C=C1)N(C(=O)C2=O)CC3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C21H15NO4/c1-26-21(25)16-8-9-18-17(11-16)19(23)20(24)22(18)12-13-6-7-14-4-2-3-5-15(14)10-13/h2-11H,12H2,1H3
InChIKey
PDHAJKZTPKLFFO-UHFFFAOYSA-N
Compound name
methyl 1-(naphthalen-2-ylmethyl)-2,3-dioxoindole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

345.1001 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.10738 180.0
[M+Na]+ 368.08932 189.5
[M-H]- 344.09282 187.8
[M+NH4]+ 363.13392 195.6
[M+K]+ 384.06326 184.3
[M+H-H2O]+ 328.09736 171.4
[M+HCOO]- 390.09830 199.6
[M+CH3COO]- 404.11395 191.4
[M+Na-2H]- 366.07477 181.9
[M]+ 345.09955 183.5
[M]- 345.10065 183.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.