CID 3059518

76696-85-0

Structural Information

Molecular Formula
C15H18N2OS
SMILES
CSCCC1C(=O)N2CC(CC2=N1)C3=CC=CC=C3
InChI
InChI=1S/C15H18N2OS/c1-19-8-7-13-15(18)17-10-12(9-14(17)16-13)11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3
InChIKey
ZRVOKYVPHIGZEG-UHFFFAOYSA-N
Compound name
2-(2-methylsulfanylethyl)-6-phenyl-2,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.11398 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.121256 164.4
[M+Na]+ 297.103198 173.8
[M-H]- 273.106704 170.0
[M+NH4]+ 292.147803 183.8
[M+K]+ 313.077138 169.3
[M+H-H2O]+ 257.111240 157.7
[M+HCOO]- 319.112181 180.2
[M+CH3COO]- 333.127831 176.5
[M+Na-2H]- 295.088646 162.4
[M]+ 274.11343142 167.3
[M]- 274.11452858 167.3
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.