CID 146049128

3-[2-(methylamino)ethyl]-1-[2-(methylsulfanyl)ethyl]urea hydrochloride

Structural Information

Molecular Formula
C7H17N3OS
SMILES
CNCCNC(=O)NCCSC
InChI
InChI=1S/C7H17N3OS/c1-8-3-4-9-7(11)10-5-6-12-2/h8H,3-6H2,1-2H3,(H2,9,10,11)
InChIKey
NJIQAHUPJWGNNU-UHFFFAOYSA-N
Compound name
1-[2-(methylamino)ethyl]-3-(2-methylsulfanylethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.10924 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.11652 142.5
[M+Na]+ 214.09846 146.6
[M-H]- 190.10196 142.3
[M+NH4]+ 209.14306 161.5
[M+K]+ 230.07240 144.9
[M+H-H2O]+ 174.10650 135.7
[M+HCOO]- 236.10744 162.5
[M+CH3COO]- 250.12309 189.3
[M+Na-2H]- 212.08391 145.3
[M]+ 191.10869 143.4
[M]- 191.10979 143.4
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.