CID 477284

(3s,6s)-3,6-dibenzyl-7-butyl-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole

Structural Information

Molecular Formula
C23H29N3
SMILES
CCCCN1[C@H](CN2C1=NC[C@@H]2CC3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C23H29N3/c1-2-3-14-25-22(16-20-12-8-5-9-13-20)18-26-21(17-24-23(25)26)15-19-10-6-4-7-11-19/h4-13,21-22H,2-3,14-18H2,1H3/t21-,22-/m0/s1
InChIKey
JPAOWGAIJCIISF-VXKWHMMOSA-N
Compound name
(3S,6S)-3,6-dibenzyl-7-butyl-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

347.23615 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.24343 188.3
[M+Na]+ 370.22537 194.1
[M-H]- 346.22887 194.2
[M+NH4]+ 365.26997 201.6
[M+K]+ 386.19931 187.1
[M+H-H2O]+ 330.23341 177.1
[M+HCOO]- 392.23435 205.4
[M+CH3COO]- 406.25000 197.2
[M+Na-2H]- 368.21082 186.2
[M]+ 347.23560 187.9
[M]- 347.23670 187.9
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.