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]+ 336.17806 181.3
[M+Na]+ 358.16000 189.0
[M-H]- 334.16350 193.2
[M+NH4]+ 353.20460 197.9
[M+K]+ 374.13394 182.4
[M+H-H2O]+ 318.16804 173.1
[M+HCOO]- 380.16898 198.7
[M+CH3COO]- 394.18463 192.5
[M+Na-2H]- 356.14545 177.1
[M]+ 335.17023 181.3
[M]- 335.17133 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.