CID 25431

Suritozole

Structural Information

Molecular Formula
C10H10FN3S
SMILES
CN1C(=NN(C1=S)C)C2=CC(=CC=C2)F
InChI
InChI=1S/C10H10FN3S/c1-13-9(12-14(2)10(13)15)7-4-3-5-8(11)6-7/h3-6H,1-2H3
InChIKey
IWDUZEHNLHFBRZ-UHFFFAOYSA-N
Compound name
5-(3-fluorophenyl)-2,4-dimethyl-1,2,4-triazole-3-thione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

463
Patents

223.05795 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.06523 148.8
[M+Na]+ 246.04717 162.8
[M+NH4]+ 241.09177 156.5
[M+K]+ 262.02111 155.6
[M-H]- 222.05067 150.2
[M+Na-2H]- 244.03262 155.2
[M]+ 223.05740 151.6
[M]- 223.05850 151.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe