CID 3021780

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

Structural Information

Molecular Formula
C23H24ClN
SMILES
CC1=CC=C(N1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)C4CCCCC4
InChI
InChI=1S/C23H24ClN/c1-17-7-16-23(25(17)22-14-12-21(24)13-15-22)20-10-8-19(9-11-20)18-5-3-2-4-6-18/h7-16,18H,2-6H2,1H3
InChIKey
WMVLREAUGOLPMS-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2-(4-cyclohexylphenyl)-5-methylpyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.15973 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.16701 187.2
[M+Na]+ 372.14895 193.9
[M-H]- 348.15245 197.6
[M+NH4]+ 367.19355 201.0
[M+K]+ 388.12289 185.4
[M+H-H2O]+ 332.15699 176.9
[M+HCOO]- 394.15793 201.5
[M+CH3COO]- 408.17358 197.0
[M+Na-2H]- 370.13440 185.3
[M]+ 349.15918 184.8
[M]- 349.16028 184.8
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.