CID 477288

(6s)-6-benzyl-7-ethyl-3,3-dimethyl-5,6-dihydro-2h-imidazo[1,2-a]imidazole

Structural Information

Molecular Formula
C16H23N3
SMILES
CCN1[C@H](CN2C1=NCC2(C)C)CC3=CC=CC=C3
InChI
InChI=1S/C16H23N3/c1-4-18-14(10-13-8-6-5-7-9-13)11-19-15(18)17-12-16(19,2)3/h5-9,14H,4,10-12H2,1-3H3/t14-/m0/s1
InChIKey
ZGAXHJLIZRNFOH-AWEZNQCLSA-N
Compound name
(6S)-6-benzyl-7-ethyl-3,3-dimethyl-5,6-dihydro-2H-imidazo[1,2-a]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

257.1892 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.19648 162.7
[M+Na]+ 280.17842 171.5
[M-H]- 256.18192 166.6
[M+NH4]+ 275.22302 182.6
[M+K]+ 296.15236 167.1
[M+H-H2O]+ 240.18646 154.1
[M+HCOO]- 302.18740 181.1
[M+CH3COO]- 316.20305 174.4
[M+Na-2H]- 278.16387 163.7
[M]+ 257.18865 163.0
[M]- 257.18975 163.0
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.