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]+ 331.21688 181.9
[M+Na]+ 353.19882 186.9
[M-H]- 329.20232 192.2
[M+NH4]+ 348.24342 195.0
[M+K]+ 369.17276 179.7
[M+H-H2O]+ 313.20686 171.4
[M+HCOO]- 375.20780 201.4
[M+CH3COO]- 389.22345 191.5
[M+Na-2H]- 351.18427 180.6
[M]+ 330.20905 175.7
[M]- 330.21015 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.