CID 469041

5h-pyrrolo[1,2-a]imidazole,2-[4-(ethylsulfinyl)phenyl]-6,7-dihydro-3-(4-pyridinyl)-

Structural Information

Molecular Formula
C19H19N3OS
SMILES
CCS(=O)C1=CC=C(C=C1)C2=C(N3CCCC3=N2)C4=CC=NC=C4
InChI
InChI=1S/C19H19N3OS/c1-2-24(23)16-7-5-14(6-8-16)18-19(15-9-11-20-12-10-15)22-13-3-4-17(22)21-18/h5-12H,2-4,13H2,1H3
InChIKey
GJURVSNUAPDFHY-UHFFFAOYSA-N
Compound name
2-(4-ethylsulfinylphenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

337.12488 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.13216 179.5
[M+Na]+ 360.11410 189.2
[M-H]- 336.11760 187.4
[M+NH4]+ 355.15870 194.5
[M+K]+ 376.08804 183.3
[M+H-H2O]+ 320.12214 171.0
[M+HCOO]- 382.12308 194.5
[M+CH3COO]- 396.13873 190.5
[M+Na-2H]- 358.09955 177.3
[M]+ 337.12433 182.5
[M]- 337.12543 182.5
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.