CID 6888077

577999-75-8

Structural Information

Molecular Formula
C18H17FN4OS
SMILES
CC(C)OC1=CC=CC(=C1)C2=NNC(=S)N2/N=C/C3=CC=CC=C3F
InChI
InChI=1S/C18H17FN4OS/c1-12(2)24-15-8-5-7-13(10-15)17-21-22-18(25)23(17)20-11-14-6-3-4-9-16(14)19/h3-12H,1-2H3,(H,22,25)/b20-11+
InChIKey
YTOKFKWMRLKBCK-RGVLZGJSSA-N
Compound name
4-[(E)-(2-fluorophenyl)methylideneamino]-3-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.11072 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.11800 182.0
[M+Na]+ 379.09994 191.9
[M-H]- 355.10344 187.6
[M+NH4]+ 374.14454 193.1
[M+K]+ 395.07388 184.3
[M+H-H2O]+ 339.10798 171.4
[M+HCOO]- 401.10892 197.9
[M+CH3COO]- 415.12457 192.1
[M+Na-2H]- 377.08539 180.9
[M]+ 356.11017 183.8
[M]- 356.11127 183.8
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.