CID 4412709

Nsc657568

Structural Information

Molecular Formula
C17H11N5O3S
SMILES
C1=CC=C2C(=C1)C(=C(N2)O)N=NC3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]
InChI
InChI=1S/C17H11N5O3S/c23-16-15(12-6-1-2-7-13(12)18-16)20-21-17-19-14(9-26-17)10-4-3-5-11(8-10)22(24)25/h1-9,18,23H
InChIKey
TZNGUMWXTDRGMN-UHFFFAOYSA-N
Compound name
3-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]diazenyl]-1H-indol-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

365.05826 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.06554 177.2
[M+Na]+ 388.04748 185.5
[M-H]- 364.05098 187.4
[M+NH4]+ 383.09208 190.3
[M+K]+ 404.02142 175.8
[M+H-H2O]+ 348.05552 173.0
[M+HCOO]- 410.05646 200.3
[M+CH3COO]- 424.07211 209.8
[M+Na-2H]- 386.03293 183.7
[M]+ 365.05771 178.9
[M]- 365.05881 178.9
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.