CID 3475036

1-(2-benzothiazolyl)-3-(2-fluorophenyl)urea

Structural Information

Molecular Formula
C14H10FN3OS
SMILES
C1=CC=C2C(=C1)N=C(S2)NC(=O)NC3=CC=CC=C3F
InChI
InChI=1S/C14H10FN3OS/c15-9-5-1-2-6-10(9)16-13(19)18-14-17-11-7-3-4-8-12(11)20-14/h1-8H,(H2,16,17,18,19)
InChIKey
MEYMGEFEKABTNX-UHFFFAOYSA-N
Compound name
1-(1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

287.05286 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.06014 158.7
[M+Na]+ 310.04208 168.5
[M-H]- 286.04558 164.8
[M+NH4]+ 305.08668 176.1
[M+K]+ 326.01602 162.8
[M+H-H2O]+ 270.05012 150.3
[M+HCOO]- 332.05106 179.3
[M+CH3COO]- 346.06671 171.1
[M+Na-2H]- 308.02753 163.8
[M]+ 287.05231 160.3
[M]- 287.05341 160.3
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

patents stripe