CID 16218104

1,3-di(1-adamantyl)imidazolinium tetrafluoroborate

Structural Information

Molecular Formula
C23H35N2
SMILES
C1C[N+](=CN1C23CC4CC(C2)CC(C4)C3)C56CC7CC(C5)CC(C7)C6
InChI
InChI=1S/C23H35N2/c1-2-25(23-12-19-6-20(13-23)8-21(7-19)14-23)15-24(1)22-9-16-3-17(10-22)5-18(4-16)11-22/h15-21H,1-14H2/q+1
InChIKey
RGROCAXBDFXGOA-UHFFFAOYSA-N
Compound name
1,3-bis(1-adamantyl)-4,5-dihydroimidazol-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

339.28003 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.28731 156.6
[M+Na]+ 362.26925 149.1
[M-H]- 338.27275 146.8
[M+NH4]+ 357.31385 176.7
[M+K]+ 378.24319 137.7
[M+H-H2O]+ 322.27729 140.5
[M+HCOO]- 384.27823 144.2
[M+CH3COO]- 398.29388 156.8
[M+Na-2H]- 360.25470 162.6
[M]+ 339.27948 149.5
[M]- 339.28058 149.5
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

patents stripe