CID 3042097

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

Structural Information

Molecular Formula
C10H12ClN3S
SMILES
CSC1=C(C=C(C=C1)Cl)NC2=NCCN2
InChI
InChI=1S/C10H12ClN3S/c1-15-9-3-2-7(11)6-8(9)14-10-12-4-5-13-10/h2-3,6H,4-5H2,1H3,(H2,12,13,14)
InChIKey
FPDDFYRRHULKLR-UHFFFAOYSA-N
Compound name
N-(5-chloro-2-methylsulfanylphenyl)-4,5-dihydro-1H-imidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.04405 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.05133 150.5
[M+Na]+ 264.03327 159.7
[M-H]- 240.03677 153.7
[M+NH4]+ 259.07787 168.1
[M+K]+ 280.00721 153.5
[M+H-H2O]+ 224.04131 143.7
[M+HCOO]- 286.04225 162.8
[M+CH3COO]- 300.05790 162.3
[M+Na-2H]- 262.01872 152.0
[M]+ 241.04350 150.9
[M]- 241.04460 150.9
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.