CID 3021779

2-(4-cyclohexylphenyl)-5-methyl-1-phenyl-1h-pyrrole

Structural Information

Molecular Formula
C23H25N
SMILES
CC1=CC=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)C4CCCCC4
InChI
InChI=1S/C23H25N/c1-18-12-17-23(24(18)22-10-6-3-7-11-22)21-15-13-20(14-16-21)19-8-4-2-5-9-19/h3,6-7,10-17,19H,2,4-5,8-9H2,1H3
InChIKey
SQUOPUNBVWHMIE-UHFFFAOYSA-N
Compound name
2-(4-cyclohexylphenyl)-5-methyl-1-phenylpyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.1987 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.205976 178.1
[M+Na]+ 338.187918 183.0
[M-H]- 314.191424 188.5
[M+NH4]+ 333.232523 192.1
[M+K]+ 354.161858 176.2
[M+H-H2O]+ 298.195960 167.6
[M+HCOO]- 360.196901 197.1
[M+CH3COO]- 374.212551 188.1
[M+Na-2H]- 336.173366 177.7
[M]+ 315.19815142 173.0
[M]- 315.19924858 173.0
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.