CID 3004184

Nsc635419

Structural Information

Molecular Formula
C10H7Cl2N7OS
SMILES
C1=C(C=C(C2=C1C(=C(N2)O)N=NC3=NNC(=S)N3N)Cl)Cl
InChI
InChI=1S/C10H7Cl2N7OS/c11-3-1-4-6(5(12)2-3)14-8(20)7(4)15-16-9-17-18-10(21)19(9)13/h1-2,14,20H,13H2,(H,18,21)
InChIKey
SLETXGXTGUJQHH-UHFFFAOYSA-N
Compound name
4-amino-3-[(5,7-dichloro-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

0
Patents

342.981 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.98828 173.5
[M+Na]+ 365.97022 187.8
[M-H]- 341.97372 176.7
[M+NH4]+ 361.01482 187.4
[M+K]+ 381.94416 179.6
[M+H-H2O]+ 325.97826 167.0
[M+HCOO]- 387.97920 183.3
[M+CH3COO]- 401.99485 184.4
[M+Na-2H]- 363.95567 174.1
[M]+ 342.98045 177.9
[M]- 342.98155 177.9
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.