CID 72007971

1385442-80-7

Structural Information

Molecular Formula
C10H22N2O2S
SMILES
CC(CCSC)N(C)C(=O)NCCOC
InChI
InChI=1S/C10H22N2O2S/c1-9(5-8-15-4)12(2)10(13)11-6-7-14-3/h9H,5-8H2,1-4H3,(H,11,13)
InChIKey
UHWBDSSCTNRKSA-UHFFFAOYSA-N
Compound name
3-(2-methoxyethyl)-1-methyl-1-(4-methylsulfanylbutan-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.1402 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.147476 157.4
[M+Na]+ 257.129418 161.0
[M-H]- 233.132924 158.4
[M+NH4]+ 252.174023 175.7
[M+K]+ 273.103358 161.0
[M+H-H2O]+ 217.137460 150.4
[M+HCOO]- 279.138401 175.3
[M+CH3COO]- 293.154051 199.6
[M+Na-2H]- 255.114866 156.6
[M]+ 234.13965142 162.5
[M]- 234.14074858 162.5
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

No patent data available for this compound.