CID 3760742

339159-94-3

Structural Information

Molecular Formula
C15H9BrN4O5
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])C(=C(N2)O)N=NC(=O)C3=C(C=CC(=C3)Br)O
InChI
InChI=1S/C15H9BrN4O5/c16-7-1-4-12(21)10(5-7)14(22)19-18-13-9-6-8(20(24)25)2-3-11(9)17-15(13)23/h1-6,17,21,23H
InChIKey
BDHRTKGAPAKUPE-UHFFFAOYSA-N
Compound name
5-bromo-2-hydroxy-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.97562 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.982896 178.2
[M+Na]+ 426.964838 187.9
[M-H]- 402.968344 186.7
[M+NH4]+ 422.009443 191.8
[M+K]+ 442.938778 172.2
[M+H-H2O]+ 386.972880 179.0
[M+HCOO]- 448.973821 200.9
[M+CH3COO]- 462.989471 212.2
[M+Na-2H]- 424.950286 185.9
[M]+ 403.97507142 196.9
[M]- 403.97616858 196.9
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.