CID 834850

N-(1,3-benzothiazol-2-yl)-n'-(3-chlorophenyl)urea

Structural Information

Molecular Formula
C14H10ClN3OS
SMILES
C1=CC=C2C(=C1)N=C(S2)NC(=O)NC3=CC(=CC=C3)Cl
InChI
InChI=1S/C14H10ClN3OS/c15-9-4-3-5-10(8-9)16-13(19)18-14-17-11-6-1-2-7-12(11)20-14/h1-8H,(H2,16,17,18,19)
InChIKey
KIJFMBMCWLDPPH-UHFFFAOYSA-N
Compound name
1-(1,3-benzothiazol-2-yl)-3-(3-chlorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

303.02332 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.03060 163.9
[M+Na]+ 326.01254 174.4
[M-H]- 302.01604 171.3
[M+NH4]+ 321.05714 181.6
[M+K]+ 341.98648 167.8
[M+H-H2O]+ 286.02058 157.3
[M+HCOO]- 348.02152 181.0
[M+CH3COO]- 362.03717 176.4
[M+Na-2H]- 323.99799 169.0
[M]+ 303.02277 168.7
[M]- 303.02387 168.7
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