CID 727855

N-(3-chlorophenyl)-n'-(4-methyl-1,3-thiazol-2-yl)urea

Structural Information

Molecular Formula
C11H10ClN3OS
SMILES
CC1=CSC(=N1)NC(=O)NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C11H10ClN3OS/c1-7-6-17-11(13-7)15-10(16)14-9-4-2-3-8(12)5-9/h2-6H,1H3,(H2,13,14,15,16)
InChIKey
SZPQTSUDPDNCAK-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

2
Patents

267.02332 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.030596 157.1
[M+Na]+ 290.012538 166.3
[M-H]- 266.016044 163.4
[M+NH4]+ 285.057143 175.2
[M+K]+ 305.986478 160.8
[M+H-H2O]+ 250.020580 150.5
[M+HCOO]- 312.021521 173.7
[M+CH3COO]- 326.037171 195.8
[M+Na-2H]- 287.997986 159.2
[M]+ 267.02277142 160.1
[M]- 267.02386858 160.1
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