CID 2783973

Nsc635422

Structural Information

Molecular Formula
C10H9N7OS
SMILES
C1=CC=C2C(=C1)C(=C(N2)O)N=NC3=NNC(=S)N3N
InChI
InChI=1S/C10H9N7OS/c11-17-9(15-16-10(17)19)14-13-7-5-3-1-2-4-6(5)12-8(7)18/h1-4,12,18H,11H2,(H,16,19)
InChIKey
SMTDLWAHPPQDJO-UHFFFAOYSA-N
Compound name
4-amino-3-[(2-hydroxy-1H-indol-3-yl)diazenyl]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

275.05893 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.06621 155.7
[M+Na]+ 298.04815 168.3
[M-H]- 274.05165 159.4
[M+NH4]+ 293.09275 170.9
[M+K]+ 314.02209 161.8
[M+H-H2O]+ 258.05619 148.3
[M+HCOO]- 320.05713 175.9
[M+CH3COO]- 334.07278 167.9
[M+Na-2H]- 296.03360 159.7
[M]+ 275.05838 157.0
[M]- 275.05948 157.0
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

patents stripe