CID 6888383

573971-68-3

Structural Information

Molecular Formula
C19H20FN5S
SMILES
CCN(CC)C1=CC=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC=CC=C3F
InChI
InChI=1S/C19H20FN5S/c1-3-24(4-2)15-11-9-14(10-12-15)13-21-25-18(22-23-19(25)26)16-7-5-6-8-17(16)20/h5-13H,3-4H2,1-2H3,(H,23,26)/b21-13+
InChIKey
IDOGFLWNNKGIOQ-FYJGNVAPSA-N
Compound name
4-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-(2-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 186.5
[M+Na]+ 392.13155 195.7
[M-H]- 368.13505 193.2
[M+NH4]+ 387.17615 197.6
[M+K]+ 408.10549 188.0
[M+H-H2O]+ 352.13959 175.1
[M+HCOO]- 414.14053 204.3
[M+CH3COO]- 428.15618 196.4
[M+Na-2H]- 390.11700 186.0
[M]+ 369.14178 188.5
[M]- 369.14288 188.5
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.