CID 477282

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

Structural Information

Molecular Formula
C20H29N3
SMILES
CCN1[C@H](CN2C1=NC[C@@H]2C3CCCCC3)CC4=CC=CC=C4
InChI
InChI=1S/C20H29N3/c1-2-22-18(13-16-9-5-3-6-10-16)15-23-19(14-21-20(22)23)17-11-7-4-8-12-17/h3,5-6,9-10,17-19H,2,4,7-8,11-15H2,1H3/t18-,19+/m0/s1
InChIKey
QEEWDCDXKPMRJK-RBUKOAKNSA-N
Compound name
(3S,6S)-6-benzyl-3-cyclohexyl-7-ethyl-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

311.23615 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.24343 179.4
[M+Na]+ 334.22537 183.5
[M-H]- 310.22887 184.6
[M+NH4]+ 329.26997 194.0
[M+K]+ 350.19931 177.8
[M+H-H2O]+ 294.23341 168.6
[M+HCOO]- 356.23435 193.2
[M+CH3COO]- 370.25000 188.0
[M+Na-2H]- 332.21082 175.8
[M]+ 311.23560 173.8
[M]- 311.23670 173.8
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.