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]+ 358.216536 189.6
[M+Na]+ 380.198478 194.3
[M-H]- 356.201984 200.2
[M+NH4]+ 375.243083 201.9
[M+K]+ 396.172418 187.7
[M+H-H2O]+ 340.206520 179.0
[M+HCOO]- 402.207461 207.2
[M+CH3COO]- 416.223111 198.8
[M+Na-2H]- 378.183926 186.3
[M]+ 357.20871142 185.6
[M]- 357.20980858 185.6
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.