CID 5422865

585559-97-3

Structural Information

Molecular Formula
C17H16FN5S
SMILES
CN(C)C1=CC=C(C=C1)/C=N\N2C(=NNC2=S)C3=CC=C(C=C3)F
InChI
InChI=1S/C17H16FN5S/c1-22(2)15-9-3-12(4-10-15)11-19-23-16(20-21-17(23)24)13-5-7-14(18)8-6-13/h3-11H,1-2H3,(H,21,24)/b19-11-
InChIKey
ZVQBTCCFXXBAFP-ODLFYWEKSA-N
Compound name
4-[(Z)-[4-(dimethylamino)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

341.11105 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.11833 178.1
[M+Na]+ 364.10027 188.3
[M-H]- 340.10377 185.2
[M+NH4]+ 359.14487 190.3
[M+K]+ 380.07421 180.9
[M+H-H2O]+ 324.10831 167.2
[M+HCOO]- 386.10925 196.6
[M+CH3COO]- 400.12490 188.9
[M+Na-2H]- 362.08572 178.6
[M]+ 341.11050 179.4
[M]- 341.11160 179.4
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.