CID 460726

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

Structural Information

Molecular Formula
C19H16ClN3S
SMILES
CN1C=C(C(=C1)C(C2=CC=C(S2)Cl)N3C=CN=C3)C4=CC=CC=C4
InChI
InChI=1S/C19H16ClN3S/c1-22-11-15(14-5-3-2-4-6-14)16(12-22)19(23-10-9-21-13-23)17-7-8-18(20)24-17/h2-13,19H,1H3
InChIKey
IXFAEONUPASZGJ-UHFFFAOYSA-N
Compound name
1-[(5-chlorothiophen-2-yl)-(1-methyl-4-phenylpyrrol-3-yl)methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

353.07535 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.08263 182.8
[M+Na]+ 376.06457 195.1
[M-H]- 352.06807 194.5
[M+NH4]+ 371.10917 199.0
[M+K]+ 392.03851 188.6
[M+H-H2O]+ 336.07261 174.5
[M+HCOO]- 398.07355 198.0
[M+CH3COO]- 412.08920 195.2
[M+Na-2H]- 374.05002 178.0
[M]+ 353.07480 189.7
[M]- 353.07590 189.7
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.