CID 460725

1-[(5-chloro-2-thienyl)-(4-phenyl-1h-pyrrol-3-yl)methyl]imidazole

Structural Information

Molecular Formula
C18H14ClN3S
SMILES
C1=CC=C(C=C1)C2=CNC=C2C(C3=CC=C(S3)Cl)N4C=CN=C4
InChI
InChI=1S/C18H14ClN3S/c19-17-7-6-16(23-17)18(22-9-8-20-12-22)15-11-21-10-14(15)13-4-2-1-3-5-13/h1-12,18,21H
InChIKey
ZACHUKVGOSLGLO-UHFFFAOYSA-N
Compound name
1-[(5-chlorothiophen-2-yl)-(4-phenyl-1H-pyrrol-3-yl)methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

339.0597 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.06698 177.3
[M+Na]+ 362.04892 188.8
[M-H]- 338.05242 187.5
[M+NH4]+ 357.09352 193.1
[M+K]+ 378.02286 181.7
[M+H-H2O]+ 322.05696 169.3
[M+HCOO]- 384.05790 191.5
[M+CH3COO]- 398.07355 189.2
[M+Na-2H]- 360.03437 173.6
[M]+ 339.05915 181.7
[M]- 339.06025 181.7
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.