CID 477286

(2r,5s)-5-benzyl-1-ethyl-2-methyl-2,3,5,6-tetrahydro-1h-imidazo[1,2-a]imidazole

Structural Information

Molecular Formula
C15H21N3
SMILES
CCN1[C@@H](CN2C1=NC[C@@H]2CC3=CC=CC=C3)C
InChI
InChI=1S/C15H21N3/c1-3-17-12(2)11-18-14(10-16-15(17)18)9-13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3/t12-,14+/m1/s1
InChIKey
YTGWOSPGVZHPIZ-OCCSQVGLSA-N
Compound name
(3S,6R)-3-benzyl-7-ethyl-6-methyl-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

243.17355 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.18083 159.5
[M+Na]+ 266.16277 167.7
[M-H]- 242.16627 163.2
[M+NH4]+ 261.20737 177.9
[M+K]+ 282.13671 163.4
[M+H-H2O]+ 226.17081 150.7
[M+HCOO]- 288.17175 178.2
[M+CH3COO]- 302.18740 171.1
[M+Na-2H]- 264.14822 159.9
[M]+ 243.17300 159.2
[M]- 243.17410 159.2
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

No patent data available for this compound.