CID 477289

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

Structural Information

Molecular Formula
C18H27N3
SMILES
CCN1[C@H](CN2C1=NC[C@@H]2C(C)(C)C)CC3=CC=CC=C3
InChI
InChI=1S/C18H27N3/c1-5-20-15(11-14-9-7-6-8-10-14)13-21-16(18(2,3)4)12-19-17(20)21/h6-10,15-16H,5,11-13H2,1-4H3/t15-,16+/m0/s1
InChIKey
RTWUSRYSFQVWMW-JKSUJKDBSA-N
Compound name
(3S,6S)-6-benzyl-3-tert-butyl-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

285.2205 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.22778 174.7
[M+Na]+ 308.20972 182.0
[M-H]- 284.21322 178.3
[M+NH4]+ 303.25432 191.5
[M+K]+ 324.18366 177.5
[M+H-H2O]+ 268.21776 166.2
[M+HCOO]- 330.21870 190.6
[M+CH3COO]- 344.23435 203.5
[M+Na-2H]- 306.19517 174.3
[M]+ 285.21995 174.8
[M]- 285.22105 174.8
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.