CID 135630541

677767-58-7

Structural Information

Molecular Formula
C17H15FN4O2S
SMILES
CCOC1=C(C=CC(=C1)/C=N/N2C(=NNC2=S)C3=CC=C(C=C3)F)O
InChI
InChI=1S/C17H15FN4O2S/c1-2-24-15-9-11(3-8-14(15)23)10-19-22-16(20-21-17(22)25)12-4-6-13(18)7-5-12/h3-10,23H,2H2,1H3,(H,21,25)/b19-10+
InChIKey
SBUMXOSEYHJYRI-VXLYETTFSA-N
Compound name
4-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-3-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.08997 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.09725 182.9
[M+Na]+ 381.07919 195.9
[M+NH4]+ 376.12379 188.2
[M+K]+ 397.05313 188.7
[M-H]- 357.08269 185.4
[M+Na-2H]- 379.06464 189.7
[M]+ 358.08942 185.6
[M]- 358.09052 185.6
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.