CID 3021789

Ethanone, 1-(4-(2-(4-cyclohexylphenyl)-5-methyl-1h-pyrrol-1-yl)phenyl)-

Structural Information

Molecular Formula
C25H27NO
SMILES
CC1=CC=C(N1C2=CC=C(C=C2)C(=O)C)C3=CC=C(C=C3)C4CCCCC4
InChI
InChI=1S/C25H27NO/c1-18-8-17-25(26(18)24-15-13-20(14-16-24)19(2)27)23-11-9-22(10-12-23)21-6-4-3-5-7-21/h8-17,21H,3-7H2,1-2H3
InChIKey
OVUROQGUBRTOGN-UHFFFAOYSA-N
Compound name
1-[4-[2-(4-cyclohexylphenyl)-5-methylpyrrol-1-yl]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.20926 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.21654 191.1
[M+Na]+ 380.19848 206.4
[M+NH4]+ 375.24308 200.0
[M+K]+ 396.17242 198.3
[M-H]- 356.20198 199.5
[M+Na-2H]- 378.18393 201.2
[M]+ 357.20871 195.8
[M]- 357.20981 195.8
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.