CID 135964625

Chembl1275618

Structural Information

Molecular Formula
C16H9BrClN3O2
SMILES
C1=CC=C2C(=C1)C(=C(N2)C3=C(NC4=CC(=C(C=C43)Br)Cl)O)N=O
InChI
InChI=1S/C16H9BrClN3O2/c17-9-5-8-12(6-10(9)18)20-16(22)13(8)15-14(21-23)7-3-1-2-4-11(7)19-15/h1-6,19-20,22H
InChIKey
OWBZTPAIWXNGRO-UHFFFAOYSA-N
Compound name
5-bromo-6-chloro-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

388.95667 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.96395 179.1
[M+Na]+ 411.94589 195.8
[M-H]- 387.94939 187.5
[M+NH4]+ 406.99049 197.5
[M+K]+ 427.91983 180.7
[M+H-H2O]+ 371.95393 178.8
[M+HCOO]- 433.95487 195.7
[M+CH3COO]- 447.97052 193.0
[M+Na-2H]- 409.93134 183.9
[M]+ 388.95612 202.4
[M]- 388.95722 202.4
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

No patent data available for this compound.