CID 135630233

478257-38-4

Structural Information

Molecular Formula
C16H12Br2N4O2S
SMILES
COC1=CC=CC=C1C2=NNC(=S)N2/N=C/C3=C(C(=CC(=C3)Br)Br)O
InChI
InChI=1S/C16H12Br2N4O2S/c1-24-13-5-3-2-4-11(13)15-20-21-16(25)22(15)19-8-9-6-10(17)7-12(18)14(9)23/h2-8,23H,1H3,(H,21,25)/b19-8+
InChIKey
PNSJISORAYGCLF-UFWORHAWSA-N
Compound name
4-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.9048 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.91208 175.2
[M+Na]+ 504.89402 171.1
[M+NH4]+ 499.93862 175.8
[M+K]+ 520.86796 176.9
[M-H]- 480.89752 176.9
[M+Na-2H]- 502.87947 177.0
[M]+ 481.90425 174.2
[M]- 481.90535 174.2
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.