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]+ 263.08488 158.2
[M+Na]+ 285.06682 167.5
[M-H]- 261.07032 163.0
[M+NH4]+ 280.11142 174.8
[M+K]+ 301.04076 163.9
[M+H-H2O]+ 245.07486 150.4
[M+HCOO]- 307.07580 175.8
[M+CH3COO]- 321.09145 194.3
[M+Na-2H]- 283.05227 158.5
[M]+ 262.07705 163.4
[M]- 262.07815 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.