CID 3074639

Ethanone, 2-((4,5-dihydro-1h-imidazol-2-yl)thio)-1-(4-methoxyphenyl)-, monohydrochloride

Structural Information

Molecular Formula
C12H14N2O2S
SMILES
COC1=CC=C(C=C1)C(=O)CSC2=NCCN2
InChI
InChI=1S/C12H14N2O2S/c1-16-10-4-2-9(3-5-10)11(15)8-17-12-13-6-7-14-12/h2-5H,6-8H2,1H3,(H,13,14)
InChIKey
FDZMOMQKZNVQLR-UHFFFAOYSA-N
Compound name
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.0776 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.08488 155.7
[M+Na]+ 273.06682 163.1
[M-H]- 249.07032 158.5
[M+NH4]+ 268.11142 171.8
[M+K]+ 289.04076 159.2
[M+H-H2O]+ 233.07486 148.1
[M+HCOO]- 295.07580 170.7
[M+CH3COO]- 309.09145 187.3
[M+Na-2H]- 271.05227 155.8
[M]+ 250.07705 156.8
[M]- 250.07815 156.8
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.