CID 3800162

Nsc657576

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
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

literature stripe

Patent stripe

patents stripe