CID 11708944

1-benzyl-2,3-dioxo-2,3-dihydro-1h-indole-5-carboxylic acid

Structural Information

Molecular Formula
C16H11NO4
SMILES
C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C(=O)O)C(=O)C2=O
InChI
InChI=1S/C16H11NO4/c18-14-12-8-11(16(20)21)6-7-13(12)17(15(14)19)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,20,21)
InChIKey
SRXXVPDYEVSZPE-UHFFFAOYSA-N
Compound name
1-benzyl-2,3-dioxoindole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

281.06882 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.076096 160.8
[M+Na]+ 304.058038 170.1
[M-H]- 280.061544 166.6
[M+NH4]+ 299.102643 177.4
[M+K]+ 320.031978 165.6
[M+H-H2O]+ 264.066080 153.6
[M+HCOO]- 326.067021 181.1
[M+CH3COO]- 340.082671 197.6
[M+Na-2H]- 302.043486 163.0
[M]+ 281.06827142 162.0
[M]- 281.06936858 162.0
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

No patent data available for this compound.