CID 6881549

677753-70-7

Structural Information

Molecular Formula
C19H20FN5S
SMILES
CCN(CC)C1=CC=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC=C(C=C3)F
InChI
InChI=1S/C19H20FN5S/c1-3-24(4-2)17-11-5-14(6-12-17)13-21-25-18(22-23-19(25)26)15-7-9-16(20)10-8-15/h5-13H,3-4H2,1-2H3,(H,23,26)/b21-13+
InChIKey
IMHWXJFGEIDBGI-FYJGNVAPSA-N
Compound name
4-[(E)-[4-(diethylamino)phenyl]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

369.14233 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.14961 185.7
[M+Na]+ 392.13155 198.4
[M+NH4]+ 387.17615 191.9
[M+K]+ 408.10549 190.3
[M-H]- 368.13505 190.1
[M+Na-2H]- 390.11700 194.0
[M]+ 369.14178 189.0
[M]- 369.14288 189.0
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.