CID 42634135

1174335-83-1

Structural Information

Molecular Formula
C20H16ClNO5
SMILES
CO/C(=C/1\C2=C(C=C(C=C2)C(=O)OC)N(C1=O)C(=O)CCl)/C3=CC=CC=C3
InChI
InChI=1S/C20H16ClNO5/c1-26-18(12-6-4-3-5-7-12)17-14-9-8-13(20(25)27-2)10-15(14)22(19(17)24)16(23)11-21/h3-10H,11H2,1-2H3/b18-17+
InChIKey
SGESEGRPYLHYDV-ISLYRVAYSA-N
Compound name
methyl (3E)-1-(2-chloroacetyl)-3-[methoxy(phenyl)methylidene]-2-oxoindole-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

385.0717 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.07898 186.8
[M+Na]+ 408.06092 195.2
[M-H]- 384.06442 193.5
[M+NH4]+ 403.10552 200.7
[M+K]+ 424.03486 190.4
[M+H-H2O]+ 368.06896 179.6
[M+HCOO]- 430.06990 201.2
[M+CH3COO]- 444.08555 216.7
[M+Na-2H]- 406.04637 184.9
[M]+ 385.07115 192.8
[M]- 385.07225 192.8
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

patents stripe