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]+ 361.191056 189.0
[M+Na]+ 383.172998 192.2
[M-H]- 359.176504 199.6
[M+NH4]+ 378.217603 200.0
[M+K]+ 399.146938 182.2
[M+H-H2O]+ 343.181040 182.5
[M+HCOO]- 405.181981 208.7
[M+CH3COO]- 419.197631 210.6
[M+Na-2H]- 381.158446 189.5
[M]+ 360.18323142 182.9
[M]- 360.18432858 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.