CID 3021805

1h-pyrrole, 1-(4-chlorophenyl)-2-(4-methyl-2-thienyl)-5-phenyl-

Structural Information

Molecular Formula
C21H16ClNS
SMILES
CC1=CSC(=C1)C2=CC=C(N2C3=CC=C(C=C3)Cl)C4=CC=CC=C4
InChI
InChI=1S/C21H16ClNS/c1-15-13-21(24-14-15)20-12-11-19(16-5-3-2-4-6-16)23(20)18-9-7-17(22)8-10-18/h2-14H,1H3
InChIKey
RSAYIBVAIYVZIX-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2-(4-methylthiophen-2-yl)-5-phenylpyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.06918 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.07646 183.4
[M+Na]+ 372.05840 196.2
[M-H]- 348.06190 196.9
[M+NH4]+ 367.10300 200.8
[M+K]+ 388.03234 187.8
[M+H-H2O]+ 332.06644 175.9
[M+HCOO]- 394.06738 200.5
[M+CH3COO]- 408.08303 196.4
[M+Na-2H]- 370.04385 181.1
[M]+ 349.06863 189.8
[M]- 349.06973 189.8
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.