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 143.7
[M+Na]+ 221.08314 151.3
[M-H]- 197.08664 145.1
[M+NH4]+ 216.12774 162.5
[M+K]+ 237.05708 148.4
[M+H-H2O]+ 181.09118 136.2
[M+HCOO]- 243.09212 162.6
[M+CH3COO]- 257.10777 187.0
[M+Na-2H]- 219.06859 145.6
[M]+ 198.09337 144.6
[M]- 198.09447 144.6
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.