CID 170853747

Dtxsid701340909

Structural Information

Molecular Formula
C22H15N3O5
SMILES
C1=CC=C2C(=C1)C(=C(N2)O)N=NC3=C(C=CC(=C3)C(=O)C4=CC=CC=C4C(=O)O)O
InChI
InChI=1S/C22H15N3O5/c26-18-10-9-12(20(27)13-5-1-2-6-14(13)22(29)30)11-17(18)24-25-19-15-7-3-4-8-16(15)23-21(19)28/h1-11,23,26,28H,(H,29,30)
InChIKey
HXTCRTDOGZQQOA-UHFFFAOYSA-N
Compound name
2-[4-hydroxy-3-[(2-hydroxy-1H-indol-3-yl)diazenyl]benzoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.10117 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.10845 190.0
[M+Na]+ 424.09039 197.4
[M-H]- 400.09389 198.3
[M+NH4]+ 419.13499 199.7
[M+K]+ 440.06433 192.3
[M+H-H2O]+ 384.09843 180.6
[M+HCOO]- 446.09937 211.9
[M+CH3COO]- 460.11502 223.6
[M+Na-2H]- 422.07584 192.8
[M]+ 401.10062 191.4
[M]- 401.10172 191.4
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.