CID 3021787

91306-83-1

Structural Information

Molecular Formula
C24H27NO
SMILES
CC1=CC=C(N1C2=CC=CC=C2OC)C3=CC=C(C=C3)C4CCCCC4
InChI
InChI=1S/C24H27NO/c1-18-12-17-22(25(18)23-10-6-7-11-24(23)26-2)21-15-13-20(14-16-21)19-8-4-3-5-9-19/h6-7,10-17,19H,3-5,8-9H2,1-2H3
InChIKey
HWGCXORDXVAJLH-UHFFFAOYSA-N
Compound name
2-(4-cyclohexylphenyl)-1-(2-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]+ 346.216536 186.2
[M+Na]+ 368.198478 191.4
[M-H]- 344.201984 196.9
[M+NH4]+ 363.243083 199.2
[M+K]+ 384.172418 185.1
[M+H-H2O]+ 328.206520 175.5
[M+HCOO]- 390.207461 205.0
[M+CH3COO]- 404.223111 196.0
[M+Na-2H]- 366.183926 184.6
[M]+ 345.20871142 183.2
[M]- 345.20980858 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.