CID 129725

Skf-105809

Structural Information

Molecular Formula
C18H17N3OS
SMILES
CS(=O)C1=CC=C(C=C1)C2=C(N3CCCC3=N2)C4=CC=NC=C4
InChI
InChI=1S/C18H17N3OS/c1-23(22)15-6-4-13(5-7-15)17-18(14-8-10-19-11-9-14)21-12-2-3-16(21)20-17/h4-11H,2-3,12H2,1H3
InChIKey
KSEJZTWORQXILM-UHFFFAOYSA-N
Compound name
2-(4-methylsulfinylphenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

109
Patents

323.10922 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.11650 175.2
[M+Na]+ 346.09844 185.3
[M-H]- 322.10194 183.3
[M+NH4]+ 341.14304 190.7
[M+K]+ 362.07238 179.7
[M+H-H2O]+ 306.10648 166.9
[M+HCOO]- 368.10742 190.6
[M+CH3COO]- 382.12307 186.6
[M+Na-2H]- 344.08389 173.5
[M]+ 323.10867 177.9
[M]- 323.10977 177.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe