CID 16077510

Chembl232017

Structural Information

Molecular Formula
C19H17NO5
SMILES
CC1=C(C(=O)C2=C(C1=O)C(=CN2C3=CC=C(C=C3)OC)C(=O)OC)C
InChI
InChI=1S/C19H17NO5/c1-10-11(2)18(22)16-15(17(10)21)14(19(23)25-4)9-20(16)12-5-7-13(24-3)8-6-12/h5-9H,1-4H3
InChIKey
PGFRIFCFEFTZQZ-UHFFFAOYSA-N
Compound name
methyl 1-(4-methoxyphenyl)-5,6-dimethyl-4,7-dioxoindole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

339.1107 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.11798 175.8
[M+Na]+ 362.09992 186.7
[M-H]- 338.10342 183.6
[M+NH4]+ 357.14452 191.6
[M+K]+ 378.07386 183.4
[M+H-H2O]+ 322.10796 168.5
[M+HCOO]- 384.10890 196.7
[M+CH3COO]- 398.12455 214.4
[M+Na-2H]- 360.08537 175.1
[M]+ 339.11015 182.5
[M]- 339.11125 182.5
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.