CID 6493430

1-(3-methoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone

Structural Information

Molecular Formula
C13H14N2O2S
SMILES
CN1C=CN=C1SCC(=O)C2=CC(=CC=C2)OC
InChI
InChI=1S/C13H14N2O2S/c1-15-7-6-14-13(15)18-9-12(16)10-4-3-5-11(8-10)17-2/h3-8H,9H2,1-2H3
InChIKey
SYLWZFNIQJFWKS-UHFFFAOYSA-N
Compound name
1-(3-methoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.0776 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.084876 158.2
[M+Na]+ 285.066818 167.5
[M-H]- 261.070324 163.0
[M+NH4]+ 280.111423 174.8
[M+K]+ 301.040758 163.9
[M+H-H2O]+ 245.074860 150.4
[M+HCOO]- 307.075801 175.8
[M+CH3COO]- 321.091451 194.3
[M+Na-2H]- 283.052266 158.5
[M]+ 262.07705142 163.4
[M]- 262.07814858 163.4
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.