CID 444763

6-(oxalyl-amino)-1h-indole-5-carboxylic acid

Structural Information

Molecular Formula
C11H8N2O5
SMILES
C1=CNC2=CC(=C(C=C21)C(=O)O)NC(=O)C(=O)O
InChI
InChI=1S/C11H8N2O5/c14-9(11(17)18)13-8-4-7-5(1-2-12-7)3-6(8)10(15)16/h1-4,12H,(H,13,14)(H,15,16)(H,17,18)
InChIKey
AHWMERGBWWROMM-UHFFFAOYSA-N
Compound name
6-(oxaloamino)-1H-indole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

20
Patents

248.04332 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.05060 149.8
[M+Na]+ 271.03254 157.7
[M-H]- 247.03604 150.0
[M+NH4]+ 266.07714 165.9
[M+K]+ 287.00648 154.7
[M+H-H2O]+ 231.04058 143.8
[M+HCOO]- 293.04152 169.5
[M+CH3COO]- 307.05717 186.9
[M+Na-2H]- 269.01799 153.0
[M]+ 248.04277 149.4
[M]- 248.04387 149.4
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