CID 2319071

303094-65-7

Structural Information

Molecular Formula
C16H10Br2N4O2S
SMILES
C1=CC=C(C(=C1)C2=NNC(=S)NC2=O)N=CC3=C(C(=CC(=C3)Br)Br)O
InChI
InChI=1S/C16H10Br2N4O2S/c17-9-5-8(14(23)11(18)6-9)7-19-12-4-2-1-3-10(12)13-15(24)20-16(25)22-21-13/h1-7,23H,(H2,20,22,24,25)
InChIKey
GQNPTNCRTTUMLC-UHFFFAOYSA-N
Compound name
6-[2-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.88913 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.89641 156.8
[M+Na]+ 502.87835 168.4
[M-H]- 478.88185 163.9
[M+NH4]+ 497.92295 166.5
[M+K]+ 518.85229 149.3
[M+H-H2O]+ 462.88639 163.5
[M+HCOO]- 524.88733 166.3
[M+CH3COO]- 538.90298 168.4
[M+Na-2H]- 500.86380 162.4
[M]+ 479.88858 190.5
[M]- 479.88968 190.5
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.