CID 60208

108097-98-9

Structural Information

Molecular Formula
C17H12N4O5
SMILES
C1=CC=C2C(=C1)C(=C(N2)O)N=NC(=O)C(=O)NC3=CC=CC=C3C(=O)O
InChI
InChI=1S/C17H12N4O5/c22-14-13(9-5-1-3-7-11(9)18-14)20-21-16(24)15(23)19-12-8-4-2-6-10(12)17(25)26/h1-8,18,22H,(H,19,23)(H,25,26)
InChIKey
APTNRNXOYJHGKQ-UHFFFAOYSA-N
Compound name
2-[[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoacetyl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.08078 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.08806 175.6
[M+Na]+ 375.07000 182.1
[M-H]- 351.07350 181.8
[M+NH4]+ 370.11460 187.8
[M+K]+ 391.04394 179.0
[M+H-H2O]+ 335.07804 166.9
[M+HCOO]- 397.07898 199.8
[M+CH3COO]- 411.09463 215.7
[M+Na-2H]- 373.05545 179.9
[M]+ 352.08023 176.6
[M]- 352.08133 176.6
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

No patent data available for this compound.