CID 493428

Chembl107837

Structural Information

Molecular Formula
C13H9N5O4
SMILES
C1=CC2=C(C=C1C(=O)O)C(=CN2)C(=O)CC(=O)C3=NNN=N3
InChI
InChI=1S/C13H9N5O4/c19-10(4-11(20)12-15-17-18-16-12)8-5-14-9-2-1-6(13(21)22)3-7(8)9/h1-3,5,14H,4H2,(H,21,22)(H,15,16,17,18)
InChIKey
DWIOZLFAULJRHW-UHFFFAOYSA-N
Compound name
3-[3-oxo-3-(2H-tetrazol-5-yl)propanoyl]-1H-indole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

299.06546 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.07274 163.9
[M+Na]+ 322.05468 172.6
[M-H]- 298.05818 163.0
[M+NH4]+ 317.09928 174.1
[M+K]+ 338.02862 168.0
[M+H-H2O]+ 282.06272 155.1
[M+HCOO]- 344.06366 178.6
[M+CH3COO]- 358.07931 173.3
[M+Na-2H]- 320.04013 165.0
[M]+ 299.06491 164.1
[M]- 299.06601 164.1
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.