CID 33334

Frentizole

Structural Information

Molecular Formula
C15H13N3O2S
SMILES
COC1=CC2=C(C=C1)N=C(S2)NC(=O)NC3=CC=CC=C3
InChI
InChI=1S/C15H13N3O2S/c1-20-11-7-8-12-13(9-11)21-15(17-12)18-14(19)16-10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)
InChIKey
JHBWYQRKOUBPCA-UHFFFAOYSA-N
Compound name
1-(6-methoxy-1,3-benzothiazol-2-yl)-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

36
References

241
Patents

299.07285 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.08013 164.3
[M+Na]+ 322.06207 173.4
[M-H]- 298.06557 171.6
[M+NH4]+ 317.10667 181.1
[M+K]+ 338.03601 168.6
[M+H-H2O]+ 282.07011 156.6
[M+HCOO]- 344.07105 185.8
[M+CH3COO]- 358.08670 176.6
[M+Na-2H]- 320.04752 169.6
[M]+ 299.07230 168.6
[M]- 299.07340 168.6
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