CID 6879374

497921-70-7

Structural Information

Molecular Formula
C17H14Cl2N4OS
SMILES
CCOC1=CC=CC(=C1)C2=NNC(=S)N2/N=C/C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C17H14Cl2N4OS/c1-2-24-13-5-3-4-12(9-13)16-21-22-17(25)23(16)20-10-11-6-7-14(18)15(19)8-11/h3-10H,2H2,1H3,(H,22,25)/b20-10+
InChIKey
JVHMPCDWNCLQFU-KEBDBYFISA-N
Compound name
4-[(E)-(3,4-dichlorophenyl)methylideneamino]-3-(3-ethoxyphenyl)-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.02655 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.03383 190.2
[M+Na]+ 415.01577 206.6
[M+NH4]+ 410.06037 197.6
[M+K]+ 430.98971 196.6
[M-H]- 391.01927 195.1
[M+Na-2H]- 413.00122 198.6
[M]+ 392.02600 195.0
[M]- 392.02710 195.0
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.