CID 3021793

1h-pyrrole, 2-(4-cyclohexylphenyl)-5-methyl-1-(3-thienylmethyl)-

Structural Information

Molecular Formula
C22H25NS
SMILES
CC1=CC=C(N1CC2=CSC=C2)C3=CC=C(C=C3)C4CCCCC4
InChI
InChI=1S/C22H25NS/c1-17-7-12-22(23(17)15-18-13-14-24-16-18)21-10-8-20(9-11-21)19-5-3-2-4-6-19/h7-14,16,19H,2-6,15H2,1H3
InChIKey
WBDPQWLRZZSNLF-UHFFFAOYSA-N
Compound name
2-(4-cyclohexylphenyl)-5-methyl-1-(thiophen-3-ylmethyl)pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.17078 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.178056 181.3
[M+Na]+ 358.159998 189.0
[M-H]- 334.163504 193.2
[M+NH4]+ 353.204603 197.9
[M+K]+ 374.133938 182.4
[M+H-H2O]+ 318.168040 173.1
[M+HCOO]- 380.168981 198.7
[M+CH3COO]- 394.184631 192.5
[M+Na-2H]- 356.145446 177.1
[M]+ 335.17023142 181.3
[M]- 335.17132858 181.3
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.