CID 61316658

1-ethyl-2-(4-iodobenzoyl)-1h-imidazole

Structural Information

Molecular Formula
C12H11IN2O
SMILES
CCN1C=CN=C1C(=O)C2=CC=C(C=C2)I
InChI
InChI=1S/C12H11IN2O/c1-2-15-8-7-14-12(15)11(16)9-3-5-10(13)6-4-9/h3-8H,2H2,1H3
InChIKey
XTQNJPMCKSAAAQ-UHFFFAOYSA-N
Compound name
(1-ethylimidazol-2-yl)-(4-iodophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.9916 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.99888 152.2
[M+Na]+ 348.98082 154.0
[M-H]- 324.98432 149.4
[M+NH4]+ 344.02542 164.9
[M+K]+ 364.95476 156.5
[M+H-H2O]+ 308.98886 140.6
[M+HCOO]- 370.98980 169.5
[M+CH3COO]- 385.00545 196.4
[M+Na-2H]- 346.96627 144.2
[M]+ 325.99105 150.7
[M]- 325.99215 150.7
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.