CID 3021786

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

Structural Information

Molecular Formula
C24H27NO
SMILES
CC1=CC=C(N1C2=CC(=CC=C2)OC)C3=CC=C(C=C3)C4CCCCC4
InChI
InChI=1S/C24H27NO/c1-18-11-16-24(25(18)22-9-6-10-23(17-22)26-2)21-14-12-20(13-15-21)19-7-4-3-5-8-19/h6,9-17,19H,3-5,7-8H2,1-2H3
InChIKey
AVHSVJRYSBHCRZ-UHFFFAOYSA-N
Compound name
2-(4-cyclohexylphenyl)-1-(3-methoxyphenyl)-5-methylpyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.20926 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.21654 186.2
[M+Na]+ 368.19848 191.4
[M-H]- 344.20198 196.9
[M+NH4]+ 363.24308 199.2
[M+K]+ 384.17242 185.1
[M+H-H2O]+ 328.20652 175.5
[M+HCOO]- 390.20746 205.0
[M+CH3COO]- 404.22311 196.0
[M+Na-2H]- 366.18393 184.6
[M]+ 345.20871 183.2
[M]- 345.20981 183.2
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.