CID 10221014

N-(3-chloro-4-methylphenyl)-n'-(1,3-thiazol-2-yl)urea

Structural Information

Molecular Formula
C11H10ClN3OS
SMILES
CC1=C(C=C(C=C1)NC(=O)NC2=NC=CS2)Cl
InChI
InChI=1S/C11H10ClN3OS/c1-7-2-3-8(6-9(7)12)14-10(16)15-11-13-4-5-17-11/h2-6H,1H3,(H2,13,14,15,16)
InChIKey
NQBOGPVBALKGGK-UHFFFAOYSA-N
Compound name
1-(3-chloro-4-methylphenyl)-3-(1,3-thiazol-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

267.02332 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.03060 157.3
[M+Na]+ 290.01254 169.2
[M+NH4]+ 285.05714 165.8
[M+K]+ 305.98648 162.1
[M-H]- 266.01604 161.4
[M+Na-2H]- 287.99799 164.6
[M]+ 267.02277 160.7
[M]- 267.02387 160.7
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