CID 469042

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

Structural Information

Molecular Formula
C19H19N3S
SMILES
CC1=NC=CC(=C1)C2=C(N=C3N2CCC3)C4=CC=C(C=C4)SC
InChI
InChI=1S/C19H19N3S/c1-13-12-15(9-10-20-13)19-18(21-17-4-3-11-22(17)19)14-5-7-16(23-2)8-6-14/h5-10,12H,3-4,11H2,1-2H3
InChIKey
IHTRVTKAPHZJJB-UHFFFAOYSA-N
Compound name
3-(2-methylpyridin-4-yl)-2-(4-methylsulfanylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

321.12997 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.13725 176.3
[M+Na]+ 344.11919 187.3
[M-H]- 320.12269 184.5
[M+NH4]+ 339.16379 192.5
[M+K]+ 360.09313 180.8
[M+H-H2O]+ 304.12723 168.0
[M+HCOO]- 366.12817 192.1
[M+CH3COO]- 380.14382 188.0
[M+Na-2H]- 342.10464 174.3
[M]+ 321.12942 179.6
[M]- 321.13052 179.6
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.