CID 42634134

1168150-46-6

Structural Information

Molecular Formula
C18H15NO4
SMILES
CO/C(=C/1\C2=C(C=C(C=C2)C(=O)OC)NC1=O)/C3=CC=CC=C3
InChI
InChI=1S/C18H15NO4/c1-22-16(11-6-4-3-5-7-11)15-13-9-8-12(18(21)23-2)10-14(13)19-17(15)20/h3-10H,1-2H3,(H,19,20)/b16-15+
InChIKey
WUVZENIISJMEHI-FOCLMDBBSA-N
Compound name
methyl (3E)-3-[methoxy(phenyl)methylidene]-2-oxo-1H-indole-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

309.1001 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.10738 170.7
[M+Na]+ 332.08932 178.1
[M-H]- 308.09282 175.9
[M+NH4]+ 327.13392 186.0
[M+K]+ 348.06326 173.7
[M+H-H2O]+ 292.09736 163.1
[M+HCOO]- 354.09830 189.4
[M+CH3COO]- 368.11395 201.9
[M+Na-2H]- 330.07477 171.4
[M]+ 309.09955 171.4
[M]- 309.10065 171.4
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

patents stripe