CID 3021788

2-(p-cyclohexylphenyl)-5-methyl-1-(p-tolyl)pyrrole

Structural Information

Molecular Formula
C24H27N
SMILES
CC1=CC=C(C=C1)N2C(=CC=C2C3=CC=C(C=C3)C4CCCCC4)C
InChI
InChI=1S/C24H27N/c1-18-8-15-23(16-9-18)25-19(2)10-17-24(25)22-13-11-21(12-14-22)20-6-4-3-5-7-20/h8-17,20H,3-7H2,1-2H3
InChIKey
RLWHVCKCLUQHKO-UHFFFAOYSA-N
Compound name
2-(4-cyclohexylphenyl)-5-methyl-1-(4-methylphenyl)pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.21436 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.22164 182.7
[M+Na]+ 352.20358 188.1
[M-H]- 328.20708 193.4
[M+NH4]+ 347.24818 196.5
[M+K]+ 368.17752 181.1
[M+H-H2O]+ 312.21162 172.2
[M+HCOO]- 374.21256 201.4
[M+CH3COO]- 388.22821 192.7
[M+Na-2H]- 350.18903 181.1
[M]+ 329.21381 178.3
[M]- 329.21491 178.3
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.