CID 3021806

Benzenamine, 4-(2-(4-cyclohexylphenyl)-5-methyl-1h-pyrrol-1-yl)-

Structural Information

Molecular Formula
C23H26N2
SMILES
CC1=CC=C(N1C2=CC=C(C=C2)N)C3=CC=C(C=C3)C4CCCCC4
InChI
InChI=1S/C23H26N2/c1-17-7-16-23(25(17)22-14-12-21(24)13-15-22)20-10-8-19(9-11-20)18-5-3-2-4-6-18/h7-16,18H,2-6,24H2,1H3
InChIKey
IMCYNSXDGLNWET-UHFFFAOYSA-N
Compound name
4-[2-(4-cyclohexylphenyl)-5-methylpyrrol-1-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.2096 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.216876 181.9
[M+Na]+ 353.198818 186.9
[M-H]- 329.202324 192.2
[M+NH4]+ 348.243423 195.0
[M+K]+ 369.172758 179.7
[M+H-H2O]+ 313.206860 171.4
[M+HCOO]- 375.207801 201.4
[M+CH3COO]- 389.223451 191.5
[M+Na-2H]- 351.184266 180.6
[M]+ 330.20905142 175.7
[M]- 330.21014858 175.7
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.