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]+ 375.067696 185.6
[M+Na]+ 397.049638 197.3
[M-H]- 373.053144 192.9
[M+NH4]+ 392.094243 197.2
[M+K]+ 413.023578 189.3
[M+H-H2O]+ 357.057680 176.4
[M+HCOO]- 419.058621 199.3
[M+CH3COO]- 433.074271 196.4
[M+Na-2H]- 395.035086 185.4
[M]+ 374.05987142 192.3
[M]- 374.06096858 192.3
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.