CID 11840955

({[(3e)-2'-oxo-2',7'-dihydro-2,3'-biindol-3(7h)-ylidene]amino}oxy)acetic acid

Structural Information

Molecular Formula
C18H13N3O4
SMILES
C1C=CC=C\2C1=N/C(=C\3/C4=CC=CCC4=NC3=O)/C2=N/OCC(=O)O
InChI
InChI=1S/C18H13N3O4/c22-14(23)9-25-21-16-11-6-2-4-8-13(11)19-17(16)15-10-5-1-3-7-12(10)20-18(15)24/h1-6H,7-9H2,(H,22,23)/b17-15-,21-16+
InChIKey
BFQRPTKOSYMPOL-LALPNIDTSA-N
Compound name
2-[(E)-[(2Z)-2-(2-oxo-7H-indol-3-ylidene)-7H-indol-3-ylidene]amino]oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.0906 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.09788 174.7
[M+Na]+ 358.07982 182.8
[M-H]- 334.08332 181.3
[M+NH4]+ 353.12442 190.6
[M+K]+ 374.05376 178.0
[M+H-H2O]+ 318.08786 166.6
[M+HCOO]- 380.08880 194.8
[M+CH3COO]- 394.10445 185.6
[M+Na-2H]- 356.06527 176.0
[M]+ 335.09005 175.5
[M]- 335.09115 175.5
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.