CID 24845321

1h-pyrrole, 2-(2'-chloro(1,1'-biphenyl)-4-yl)-5-methyl-1-phenyl-

Structural Information

Molecular Formula
C23H18ClN
SMILES
CC1=CC=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=CC=C4Cl
InChI
InChI=1S/C23H18ClN/c1-17-11-16-23(25(17)20-7-3-2-4-8-20)19-14-12-18(13-15-19)21-9-5-6-10-22(21)24/h2-16H,1H3
InChIKey
UODPQSQAACBXDM-UHFFFAOYSA-N
Compound name
2-[4-(2-chlorophenyl)phenyl]-5-methyl-1-phenylpyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.11276 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.12004 183.7
[M+Na]+ 366.10198 193.5
[M-H]- 342.10548 195.2
[M+NH4]+ 361.14658 198.0
[M+K]+ 382.07592 184.6
[M+H-H2O]+ 326.11002 173.6
[M+HCOO]- 388.11096 202.2
[M+CH3COO]- 402.12661 195.1
[M+Na-2H]- 364.08743 184.9
[M]+ 343.11221 185.7
[M]- 343.11331 185.7
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.