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

45
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 171.2
[M+Na]+ 332.08932 183.2
[M+NH4]+ 327.13392 177.5
[M+K]+ 348.06326 179.2
[M-H]- 308.09282 172.9
[M+Na-2H]- 330.07477 176.0
[M]+ 309.09955 173.1
[M]- 309.10065 173.1
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