CID 163653

N,n-dimethyl-n'-(3-phenyl-5-isothiazolyl)urea

Structural Information

Molecular Formula
C12H13N3OS
SMILES
CN(C)C(=O)NC1=CC(=NS1)C2=CC=CC=C2
InChI
InChI=1S/C12H13N3OS/c1-15(2)12(16)13-11-8-10(14-17-11)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,13,16)
InChIKey
JYCYHPKVJWZDSX-UHFFFAOYSA-N
Compound name
1,1-dimethyl-3-(3-phenyl-1,2-thiazol-5-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

247.07793 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.08521 154.7
[M+Na]+ 270.06715 165.4
[M+NH4]+ 265.11175 163.0
[M+K]+ 286.04109 159.4
[M-H]- 246.07065 159.1
[M+Na-2H]- 268.05260 162.3
[M]+ 247.07738 157.7
[M]- 247.07848 157.7
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