CID 163649

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

Structural Information

Molecular Formula
C9H15N3OS
SMILES
CC(C)C1=NSC(=C1)NC(=O)N(C)C
InChI
InChI=1S/C9H15N3OS/c1-6(2)7-5-8(14-11-7)10-9(13)12(3)4/h5-6H,1-4H3,(H,10,13)
InChIKey
CVCPGTLRRHUIEB-UHFFFAOYSA-N
Compound name
1,1-dimethyl-3-(3-propan-2-yl-1,2-thiazol-5-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

213.09358 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.100856 148.8
[M+Na]+ 236.082798 155.5
[M-H]- 212.086304 153.0
[M+NH4]+ 231.127403 168.8
[M+K]+ 252.056738 154.9
[M+H-H2O]+ 196.090840 141.7
[M+HCOO]- 258.091781 168.2
[M+CH3COO]- 272.107431 193.7
[M+Na-2H]- 234.068246 148.5
[M]+ 213.09303142 151.6
[M]- 213.09412858 151.6
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