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

3
Patents

213.09358 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.10086 148.8
[M+Na]+ 236.08280 155.5
[M-H]- 212.08630 153.0
[M+NH4]+ 231.12740 168.8
[M+K]+ 252.05674 154.9
[M+H-H2O]+ 196.09084 141.7
[M+HCOO]- 258.09178 168.2
[M+CH3COO]- 272.10743 193.7
[M+Na-2H]- 234.06825 148.5
[M]+ 213.09303 151.6
[M]- 213.09413 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