CID 135630605

478255-73-1

Structural Information

Molecular Formula
C16H13BrN4OS
SMILES
CC1=CC(=CC=C1)C2=NNC(=S)N2/N=C/C3=C(C=CC(=C3)Br)O
InChI
InChI=1S/C16H13BrN4OS/c1-10-3-2-4-11(7-10)15-19-20-16(23)21(15)18-9-12-8-13(17)5-6-14(12)22/h2-9,22H,1H3,(H,20,23)/b18-9+
InChIKey
JZCIEUVLXAOULV-GIJQJNRQSA-N
Compound name
4-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-(3-methylphenyl)-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.99933 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.00661 174.3
[M+Na]+ 410.98855 179.4
[M+NH4]+ 406.03315 177.7
[M+K]+ 426.96249 178.2
[M-H]- 386.99205 177.0
[M+Na-2H]- 408.97400 179.3
[M]+ 387.99878 175.0
[M]- 387.99988 175.0
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

No patent data available for this compound.