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

36
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

literature stripe

Patent stripe

patents stripe