CID 3021784

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

Structural Information

Molecular Formula
C23H24BrN
SMILES
CC1=CC=C(N1C2=CC=C(C=C2)Br)C3=CC=C(C=C3)C4CCCCC4
InChI
InChI=1S/C23H24BrN/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
AGXAAPDBTFRLMR-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-2-(4-cyclohexylphenyl)-5-methylpyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.10922 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.11650 193.3
[M+Na]+ 416.09844 201.7
[M-H]- 392.10194 206.1
[M+NH4]+ 411.14304 208.4
[M+K]+ 432.07238 188.4
[M+H-H2O]+ 376.10648 190.5
[M+HCOO]- 438.10742 210.1
[M+CH3COO]- 452.12307 204.6
[M+Na-2H]- 414.08389 192.9
[M]+ 393.10867 207.5
[M]- 393.10977 207.5
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.