CID 44190180

1168152-07-5

Structural Information

Molecular Formula
C20H17NO5
SMILES
CC(=O)N1C2=C(C=CC(=C2)C(=O)OC)/C(=C(/C3=CC=CC=C3)\OC)/C1=O
InChI
InChI=1S/C20H17NO5/c1-12(22)21-16-11-14(20(24)26-3)9-10-15(16)17(19(21)23)18(25-2)13-7-5-4-6-8-13/h4-11H,1-3H3/b18-17+
InChIKey
IAELOHNWFVWCNO-ISLYRVAYSA-N
Compound name
methyl (3E)-1-acetyl-3-[methoxy(phenyl)methylidene]-2-oxoindole-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

351.1107 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.11798 180.4
[M+Na]+ 374.09992 188.0
[M-H]- 350.10342 187.1
[M+NH4]+ 369.14452 194.7
[M+K]+ 390.07386 184.7
[M+H-H2O]+ 334.10796 172.6
[M+HCOO]- 396.10890 199.2
[M+CH3COO]- 410.12455 213.2
[M+Na-2H]- 372.08537 178.9
[M]+ 351.11015 184.0
[M]- 351.11125 184.0
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.