CID 4621483

1-methyl-2-(thiophene-2-carbonyl)-1h-imidazole

Structural Information

Molecular Formula
C9H8N2OS
SMILES
CN1C=CN=C1C(=O)C2=CC=CS2
InChI
InChI=1S/C9H8N2OS/c1-11-5-4-10-9(11)8(12)7-3-2-6-13-7/h2-6H,1H3
InChIKey
GWTIRHWQCUAYAE-UHFFFAOYSA-N
Compound name
(1-methylimidazol-2-yl)-thiophen-2-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

192.03574 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.04302 138.9
[M+Na]+ 215.02496 150.5
[M-H]- 191.02846 145.0
[M+NH4]+ 210.06956 160.4
[M+K]+ 230.99890 148.0
[M+H-H2O]+ 175.03300 132.5
[M+HCOO]- 237.03394 160.0
[M+CH3COO]- 251.04959 153.8
[M+Na-2H]- 213.01041 140.0
[M]+ 192.03519 143.5
[M]- 192.03629 143.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.