CID 175670

Dtxsid7073729

Structural Information

Molecular Formula
C12H12ClN3O2S
SMILES
CN(C(=O)NC1=CC(=NS1)C2=CC=C(C=C2)Cl)OC
InChI
InChI=1S/C12H12ClN3O2S/c1-16(18-2)12(17)14-11-7-10(15-19-11)8-3-5-9(13)6-4-8/h3-7H,1-2H3,(H,14,17)
InChIKey
WLOXCYAHNNLCDM-UHFFFAOYSA-N
Compound name
3-[3-(4-chlorophenyl)-1,2-thiazol-5-yl]-1-methoxy-1-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

297.03387 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.04115 164.9
[M+Na]+ 320.02309 173.5
[M-H]- 296.02659 172.6
[M+NH4]+ 315.06769 182.3
[M+K]+ 335.99703 169.9
[M+H-H2O]+ 280.03113 157.8
[M+HCOO]- 342.03207 181.8
[M+CH3COO]- 356.04772 204.2
[M+Na-2H]- 318.00854 166.0
[M]+ 297.03332 171.0
[M]- 297.03442 171.0
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