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]+ 275.12126 164.4
[M+Na]+ 297.10320 173.8
[M-H]- 273.10670 170.0
[M+NH4]+ 292.14780 183.8
[M+K]+ 313.07714 169.3
[M+H-H2O]+ 257.11124 157.7
[M+HCOO]- 319.11218 180.2
[M+CH3COO]- 333.12783 176.5
[M+Na-2H]- 295.08865 162.4
[M]+ 274.11343 167.3
[M]- 274.11453 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.