CID 24838022

91306-95-5

Structural Information

Molecular Formula
C25H21NO
SMILES
CC1=CC=C(N1C2=CC=C(C=C2)C(=O)C)C3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H21NO/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/h3-17H,1-2H3
InChIKey
IZUNEGDRZFMXDC-UHFFFAOYSA-N
Compound name
1-[4-[2-methyl-5-(4-phenylphenyl)pyrrol-1-yl]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.16232 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.16960 186.7
[M+Na]+ 374.15154 194.5
[M-H]- 350.15504 198.6
[M+NH4]+ 369.19614 199.5
[M+K]+ 390.12548 187.4
[M+H-H2O]+ 334.15958 176.2
[M+HCOO]- 396.16052 208.6
[M+CH3COO]- 410.17617 197.6
[M+Na-2H]- 372.13699 186.5
[M]+ 351.16177 187.0
[M]- 351.16287 187.0
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.