CID 3021781

1h-pyrrole, 2-(4-cyclohexylphenyl)-1-(3,4-dichlorophenyl)-5-methyl-

Structural Information

Molecular Formula
C23H23Cl2N
SMILES
CC1=CC=C(N1C2=CC(=C(C=C2)Cl)Cl)C3=CC=C(C=C3)C4CCCCC4
InChI
InChI=1S/C23H23Cl2N/c1-16-7-14-23(26(16)20-12-13-21(24)22(25)15-20)19-10-8-18(9-11-19)17-5-3-2-4-6-17/h7-15,17H,2-6H2,1H3
InChIKey
TWLCMPLBCHZMHG-UHFFFAOYSA-N
Compound name
2-(4-cyclohexylphenyl)-1-(3,4-dichlorophenyl)-5-methylpyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.12076 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.12804 195.0
[M+Na]+ 406.10998 202.9
[M-H]- 382.11348 204.6
[M+NH4]+ 401.15458 208.1
[M+K]+ 422.08392 193.5
[M+H-H2O]+ 366.11802 184.9
[M+HCOO]- 428.11896 204.0
[M+CH3COO]- 442.13461 204.1
[M+Na-2H]- 404.09543 191.4
[M]+ 383.12021 194.4
[M]- 383.12131 194.4
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.