CID 446185

4-(2-thienyl)-1-(4-methylbenzyl)-1h-imidazole

Structural Information

Molecular Formula
C15H14N2S
SMILES
CC1=CC=C(C=C1)CN2C=C(N=C2)C3=CC=CS3
InChI
InChI=1S/C15H14N2S/c1-12-4-6-13(7-5-12)9-17-10-14(16-11-17)15-3-2-8-18-15/h2-8,10-11H,9H2,1H3
InChIKey
UMOFOLLUKPBVQG-UHFFFAOYSA-N
Compound name
1-[(4-methylphenyl)methyl]-4-thiophen-2-ylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

32
Patents

254.08777 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.09505 156.1
[M+Na]+ 277.07699 167.8
[M-H]- 253.08049 165.1
[M+NH4]+ 272.12159 175.2
[M+K]+ 293.05093 162.6
[M+H-H2O]+ 237.08503 148.6
[M+HCOO]- 299.08597 177.4
[M+CH3COO]- 313.10162 170.1
[M+Na-2H]- 275.06244 156.7
[M]+ 254.08722 160.6
[M]- 254.08832 160.6
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

patents stripe