CID 108492068

1796014-76-0

Structural Information

Molecular Formula
C8H14N4S
SMILES
CNC(=S)NCCC1=CN(C=N1)C
InChI
InChI=1S/C8H14N4S/c1-9-8(13)10-4-3-7-5-12(2)6-11-7/h5-6H,3-4H2,1-2H3,(H2,9,10,13)
InChIKey
VYFQSBTYDAOXFH-UHFFFAOYSA-N
Compound name
1-methyl-3-[2-(1-methylimidazol-4-yl)ethyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.09392 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.10120 144.6
[M+Na]+ 221.08314 153.1
[M+NH4]+ 216.12774 151.8
[M+K]+ 237.05708 147.7
[M-H]- 197.08664 145.6
[M+Na-2H]- 219.06859 148.5
[M]+ 198.09337 146.1
[M]- 198.09447 146.1
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.