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]+ 229.11176 150.3
[M+Na]+ 251.09370 156.0
[M-H]- 227.09720 149.7
[M+NH4]+ 246.13830 166.8
[M+K]+ 267.06764 152.5
[M+H-H2O]+ 211.10174 142.4
[M+HCOO]- 273.10268 167.8
[M+CH3COO]- 287.11833 188.4
[M+Na-2H]- 249.07915 152.3
[M]+ 228.10393 150.7
[M]- 228.10503 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.