CID 165670898

3-[2-(dimethylamino)ethyl]-1-[2-(methylsulfanyl)ethyl]urea

Structural Information

Molecular Formula
C8H19N3OS
SMILES
CN(C)CCNC(=O)NCCSC
InChI
InChI=1S/C8H19N3OS/c1-11(2)6-4-9-8(12)10-5-7-13-3/h4-7H2,1-3H3,(H2,9,10,12)
InChIKey
LMINQVNOESSWHG-UHFFFAOYSA-N
Compound name
1-[2-(dimethylamino)ethyl]-3-(2-methylsulfanylethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.12488 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.13216 148.2
[M+Na]+ 228.11410 152.0
[M-H]- 204.11760 149.3
[M+NH4]+ 223.15870 167.3
[M+K]+ 244.08804 151.5
[M+H-H2O]+ 188.12214 141.0
[M+HCOO]- 250.12308 168.3
[M+CH3COO]- 264.13873 195.7
[M+Na-2H]- 226.09955 149.7
[M]+ 205.12433 150.7
[M]- 205.12543 150.7
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

No patent data available for this compound.