CID 4163240

N-(1,3-benzothiazol-2-yl)-n'-[3-(trifluoromethyl)phenyl]urea

Structural Information

Molecular Formula
C15H10F3N3OS
SMILES
C1=CC=C2C(=C1)N=C(S2)NC(=O)NC3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C15H10F3N3OS/c16-15(17,18)9-4-3-5-10(8-9)19-13(22)21-14-20-11-6-1-2-7-12(11)23-14/h1-8H,(H2,19,20,21,22)
InChIKey
UIABOXDJBMMUIQ-UHFFFAOYSA-N
Compound name
1-(1,3-benzothiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.04968 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.05696 167.7
[M+Na]+ 360.03890 176.7
[M+NH4]+ 355.08350 173.3
[M+K]+ 376.01284 171.0
[M-H]- 336.04240 167.4
[M+Na-2H]- 358.02435 173.7
[M]+ 337.04913 169.0
[M]- 337.05023 169.0
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.