CID 165670896

3-(2-hydroxyethyl)-3-methyl-1-[2-(methylsulfanyl)ethyl]urea

Structural Information

Molecular Formula
C7H16N2O2S
SMILES
CN(CCO)C(=O)NCCSC
InChI
InChI=1S/C7H16N2O2S/c1-9(4-5-10)7(11)8-3-6-12-2/h10H,3-6H2,1-2H3,(H,8,11)
InChIKey
GMEAXZWWKZZBOF-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethyl)-1-methyl-3-(2-methylsulfanylethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.09325 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.10053 143.6
[M+Na]+ 215.08247 148.2
[M-H]- 191.08597 143.5
[M+NH4]+ 210.12707 162.8
[M+K]+ 231.05641 147.5
[M+H-H2O]+ 175.09051 137.3
[M+HCOO]- 237.09145 161.9
[M+CH3COO]- 251.10710 187.1
[M+Na-2H]- 213.06792 144.8
[M]+ 192.09270 146.2
[M]- 192.09380 146.2
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.