CID 3021788

91306-84-2

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]+ 330.221636 182.7
[M+Na]+ 352.203578 188.1
[M-H]- 328.207084 193.4
[M+NH4]+ 347.248183 196.5
[M+K]+ 368.177518 181.1
[M+H-H2O]+ 312.211620 172.2
[M+HCOO]- 374.212561 201.4
[M+CH3COO]- 388.228211 192.7
[M+Na-2H]- 350.189026 181.1
[M]+ 329.21381142 178.3
[M]- 329.21490858 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.