CID 6861309

478253-80-4

Structural Information

Molecular Formula
C17H15ClN4OS
SMILES
CCOC1=CC=CC=C1/C=N/N2C(=NNC2=S)C3=CC=CC=C3Cl
InChI
InChI=1S/C17H15ClN4OS/c1-2-23-15-10-6-3-7-12(15)11-19-22-16(20-21-17(22)24)13-8-4-5-9-14(13)18/h3-11H,2H2,1H3,(H,21,24)/b19-11+
InChIKey
VPNZXIMCIBWCNK-YBFXNURJSA-N
Compound name
3-(2-chlorophenyl)-4-[(E)-(2-ethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.06552 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.072796 182.2
[M+Na]+ 381.054738 193.4
[M-H]- 357.058244 189.0
[M+NH4]+ 376.099343 194.2
[M+K]+ 397.028678 184.7
[M+H-H2O]+ 341.062780 172.8
[M+HCOO]- 403.063721 195.7
[M+CH3COO]- 417.079371 192.9
[M+Na-2H]- 379.040186 182.5
[M]+ 358.06497142 187.1
[M]- 358.06606858 187.1
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.