CID 477287

1-[3-[(3s,6r)-3-benzyl-7-ethyl-2,3,5,6-tetrahydroimidazo[1,2-a]imidazol-6-yl]propyl]guanidine

Structural Information

Molecular Formula
C18H28N6
SMILES
CCN1[C@@H](CN2C1=NC[C@@H]2CC3=CC=CC=C3)CCCN=C(N)N
InChI
InChI=1S/C18H28N6/c1-2-23-15(9-6-10-21-17(19)20)13-24-16(12-22-18(23)24)11-14-7-4-3-5-8-14/h3-5,7-8,15-16H,2,6,9-13H2,1H3,(H4,19,20,21)/t15-,16+/m1/s1
InChIKey
ANSVCVZJULWYOP-CVEARBPZSA-N
Compound name
2-[3-[(3S,6R)-3-benzyl-7-ethyl-2,3,5,6-tetrahydroimidazo[1,2-a]imidazol-6-yl]propyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

328.23755 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.24483 179.5
[M+Na]+ 351.22677 184.0
[M-H]- 327.23027 183.4
[M+NH4]+ 346.27137 193.4
[M+K]+ 367.20071 179.4
[M+H-H2O]+ 311.23481 169.2
[M+HCOO]- 373.23575 199.8
[M+CH3COO]- 387.25140 219.4
[M+Na-2H]- 349.21222 178.4
[M]+ 328.23700 176.9
[M]- 328.23810 176.9
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.