CID 3021790

2-(4-cyclohexylphenyl)-5-methyl-1-(4-nitrophenyl)-1h-pyrrole

Structural Information

Molecular Formula
C23H24N2O2
SMILES
CC1=CC=C(N1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)C4CCCCC4
InChI
InChI=1S/C23H24N2O2/c1-17-7-16-23(24(17)21-12-14-22(15-13-21)25(26)27)20-10-8-19(9-11-20)18-5-3-2-4-6-18/h7-16,18H,2-6H2,1H3
InChIKey
ILRWEIFEJYJVEM-UHFFFAOYSA-N
Compound name
2-(4-cyclohexylphenyl)-5-methyl-1-(4-nitrophenyl)pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.18378 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.19106 189.0
[M+Na]+ 383.17300 192.2
[M-H]- 359.17650 199.6
[M+NH4]+ 378.21760 200.0
[M+K]+ 399.14694 182.2
[M+H-H2O]+ 343.18104 182.5
[M+HCOO]- 405.18198 208.7
[M+CH3COO]- 419.19763 210.6
[M+Na-2H]- 381.15845 189.5
[M]+ 360.18323 182.9
[M]- 360.18433 182.9
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.