CID 3021779

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

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]+ 316.20598 178.1
[M+Na]+ 338.18792 183.0
[M-H]- 314.19142 188.5
[M+NH4]+ 333.23252 192.1
[M+K]+ 354.16186 176.2
[M+H-H2O]+ 298.19596 167.6
[M+HCOO]- 360.19690 197.1
[M+CH3COO]- 374.21255 188.1
[M+Na-2H]- 336.17337 177.7
[M]+ 315.19815 173.0
[M]- 315.19925 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.