CID 9560678

677304-15-3

Structural Information

Molecular Formula
C20H15FN4OS
SMILES
COC1=C(C2=CC=CC=C2C=C1)/C=N/N3C(=NNC3=S)C4=CC=CC=C4F
InChI
InChI=1S/C20H15FN4OS/c1-26-18-11-10-13-6-2-3-7-14(13)16(18)12-22-25-19(23-24-20(25)27)15-8-4-5-9-17(15)21/h2-12H,1H3,(H,24,27)/b22-12+
InChIKey
IEXOWAUEILJTKD-WSDLNYQXSA-N
Compound name
3-(2-fluorophenyl)-4-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.09506 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.10234 187.7
[M+Na]+ 401.08428 200.4
[M-H]- 377.08778 194.7
[M+NH4]+ 396.12888 199.2
[M+K]+ 417.05822 191.0
[M+H-H2O]+ 361.09232 177.0
[M+HCOO]- 423.09326 205.0
[M+CH3COO]- 437.10891 198.3
[M+Na-2H]- 399.06973 189.9
[M]+ 378.09451 191.4
[M]- 378.09561 191.4
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.