CID 6878713

497949-85-6

Structural Information

Molecular Formula
C18H18N4OS
SMILES
CCOC1=CC=CC(=C1)C2=NNC(=S)N2/N=C/C3=CC=CC(=C3)C
InChI
InChI=1S/C18H18N4OS/c1-3-23-16-9-5-8-15(11-16)17-20-21-18(24)22(17)19-12-14-7-4-6-13(2)10-14/h4-12H,3H2,1-2H3,(H,21,24)/b19-12+
InChIKey
DRRBNTKLCNDBKT-XDHOZWIPSA-N
Compound name
3-(3-ethoxyphenyl)-4-[(E)-(3-methylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.12012 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.12740 179.9
[M+Na]+ 361.10934 194.7
[M+NH4]+ 356.15394 187.0
[M+K]+ 377.08328 186.0
[M-H]- 337.11284 185.0
[M+Na-2H]- 359.09479 188.8
[M]+ 338.11957 183.9
[M]- 338.12067 183.9
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.