CID 6889592

587002-83-3

Structural Information

Molecular Formula
C19H13FN4S
SMILES
C1=CC=C2C(=C1)C=CC=C2/C=N/N3C(=NNC3=S)C4=CC=C(C=C4)F
InChI
InChI=1S/C19H13FN4S/c20-16-10-8-14(9-11-16)18-22-23-19(25)24(18)21-12-15-6-3-5-13-4-1-2-7-17(13)15/h1-12H,(H,23,25)/b21-12+
InChIKey
JLKQCHMLOOVUOF-CIAFOILYSA-N
Compound name
3-(4-fluorophenyl)-4-[(E)-naphthalen-1-ylmethylideneamino]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.0845 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.09178 179.1
[M+Na]+ 371.07372 191.8
[M-H]- 347.07722 185.9
[M+NH4]+ 366.11832 191.7
[M+K]+ 387.04766 182.0
[M+H-H2O]+ 331.08176 168.6
[M+HCOO]- 393.08270 196.7
[M+CH3COO]- 407.09835 190.1
[M+Na-2H]- 369.05917 182.4
[M]+ 348.08395 180.8
[M]- 348.08505 180.8
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.