CID 116509026

1-[2-(1h-imidazol-5-yl)ethyl]-3-(2-methoxyethyl)thiourea

Structural Information

Molecular Formula
C9H16N4OS
SMILES
COCCNC(=S)NCCC1=CN=CN1
InChI
InChI=1S/C9H16N4OS/c1-14-5-4-12-9(15)11-3-2-8-6-10-7-13-8/h6-7H,2-5H2,1H3,(H,10,13)(H2,11,12,15)
InChIKey
UWWMFKZFZSIIER-UHFFFAOYSA-N
Compound name
1-[2-(1H-imidazol-5-yl)ethyl]-3-(2-methoxyethyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.10448 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.111756 150.3
[M+Na]+ 251.093698 156.0
[M-H]- 227.097204 149.7
[M+NH4]+ 246.138303 166.8
[M+K]+ 267.067638 152.5
[M+H-H2O]+ 211.101740 142.4
[M+HCOO]- 273.102681 167.8
[M+CH3COO]- 287.118331 188.4
[M+Na-2H]- 249.079146 152.3
[M]+ 228.10393142 150.7
[M]- 228.10502858 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.