CID 6861329

478254-77-2

Structural Information

Molecular Formula
C17H15ClN4O2S
SMILES
COC1=CC(=C(C=C1)OC)/C=N/N2C(=NNC2=S)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C17H15ClN4O2S/c1-23-14-6-7-15(24-2)12(9-14)10-19-22-16(20-21-17(22)25)11-4-3-5-13(18)8-11/h3-10H,1-2H3,(H,21,25)/b19-10+
InChIKey
HMIWKSCAJFVHLA-VXLYETTFSA-N
Compound name
3-(3-chlorophenyl)-4-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.06042 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.06770 186.4
[M+Na]+ 397.04964 201.9
[M+NH4]+ 392.09424 193.2
[M+K]+ 413.02358 193.3
[M-H]- 373.05314 191.1
[M+Na-2H]- 395.03509 194.7
[M]+ 374.05987 190.6
[M]- 374.06097 190.6
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.