CID 3021804

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

Structural Information

Molecular Formula
C21H17NS
SMILES
CC1=CSC(=C1)C2=CC=C(N2C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H17NS/c1-16-14-21(23-15-16)20-13-12-19(17-8-4-2-5-9-17)22(20)18-10-6-3-7-11-18/h2-15H,1H3
InChIKey
PKLJQYCLTADCBA-UHFFFAOYSA-N
Compound name
2-(4-methylthiophen-2-yl)-1,5-diphenylpyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.1082 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.11548 174.3
[M+Na]+ 338.09742 185.6
[M-H]- 314.10092 187.7
[M+NH4]+ 333.14202 192.0
[M+K]+ 354.07136 178.6
[M+H-H2O]+ 298.10546 166.5
[M+HCOO]- 360.10640 196.3
[M+CH3COO]- 374.12205 187.6
[M+Na-2H]- 336.08287 173.4
[M]+ 315.10765 178.2
[M]- 315.10875 178.2
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.