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]+ 404.98290 178.2
[M+Na]+ 426.96484 187.9
[M-H]- 402.96834 186.7
[M+NH4]+ 422.00944 191.8
[M+K]+ 442.93878 172.2
[M+H-H2O]+ 386.97288 179.0
[M+HCOO]- 448.97382 200.9
[M+CH3COO]- 462.98947 212.2
[M+Na-2H]- 424.95029 185.9
[M]+ 403.97507 196.9
[M]- 403.97617 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.