CID 3042095

4,5-dihydro-n-(2-(methylthio)phenyl)-1h-imidazol-2-amine monohydriodide

Structural Information

Molecular Formula
C10H13N3S
SMILES
CSC1=CC=CC=C1NC2=NCCN2
InChI
InChI=1S/C10H13N3S/c1-14-9-5-3-2-4-8(9)13-10-11-6-7-12-10/h2-5H,6-7H2,1H3,(H2,11,12,13)
InChIKey
OPHZSYAPCIBUMS-UHFFFAOYSA-N
Compound name
N-(2-methylsulfanylphenyl)-4,5-dihydro-1H-imidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.08302 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.09030 143.3
[M+Na]+ 230.07224 151.2
[M-H]- 206.07574 146.3
[M+NH4]+ 225.11684 161.2
[M+K]+ 246.04618 146.6
[M+H-H2O]+ 190.08028 135.9
[M+HCOO]- 252.08122 160.4
[M+CH3COO]- 266.09687 155.3
[M+Na-2H]- 228.05769 146.1
[M]+ 207.08247 141.6
[M]- 207.08357 141.6
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.