CID 460723

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

Structural Information

Molecular Formula
C18H15N3S
SMILES
C1=CC=C(C=C1)C2=CNC=C2C(C3=CSC=C3)N4C=CN=C4
InChI
InChI=1S/C18H15N3S/c1-2-4-14(5-3-1)16-10-20-11-17(16)18(15-6-9-22-12-15)21-8-7-19-13-21/h1-13,18,20H
InChIKey
SPPPFORYNRGGJE-UHFFFAOYSA-N
Compound name
1-[(4-phenyl-1H-pyrrol-3-yl)-thiophen-3-ylmethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

305.09866 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.10594 168.2
[M+Na]+ 328.08788 178.3
[M-H]- 304.09138 178.3
[M+NH4]+ 323.13248 184.3
[M+K]+ 344.06182 172.7
[M+H-H2O]+ 288.09592 160.2
[M+HCOO]- 350.09686 187.3
[M+CH3COO]- 364.11251 180.4
[M+Na-2H]- 326.07333 165.9
[M]+ 305.09811 170.4
[M]- 305.09921 170.4
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.