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]+ 268.030596 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

No literature data available for this compound.

Patent stripe

patents stripe