CID 6879493

5-(2-chlorophenyl)-4-((4-nitrobenzylidene)amino)-4h-1,2,4-triazole-3-thiol

Structural Information

Molecular Formula
C15H10ClN5O2S
SMILES
C1=CC=C(C(=C1)C2=NNC(=S)N2/N=C/C3=CC=C(C=C3)[N+](=O)[O-])Cl
InChI
InChI=1S/C15H10ClN5O2S/c16-13-4-2-1-3-12(13)14-18-19-15(24)20(14)17-9-10-5-7-11(8-6-10)21(22)23/h1-9H,(H,19,24)/b17-9+
InChIKey
CZUMGPOGNWYRHG-RQZCQDPDSA-N
Compound name
3-(2-chlorophenyl)-4-[(E)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.02438 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.03166 175.4
[M+Na]+ 382.01360 191.2
[M+NH4]+ 377.05820 182.4
[M+K]+ 397.98754 185.6
[M-H]- 358.01710 181.4
[M+Na-2H]- 379.99905 184.5
[M]+ 359.02383 179.9
[M]- 359.02493 179.9
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.