CID 2734916

286014-42-4

Structural Information

Molecular Formula
C23H33N2
SMILES
C1C2CC3CC1CC(C2)(C3)N4C=C[N+](=C4)C56CC7CC(C5)CC(C7)C6
InChI
InChI=1S/C23H33N2/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/h1-2,15-21H,3-14H2/q+1
InChIKey
SAYJSSIMFYICKR-UHFFFAOYSA-N
Compound name
1,3-bis(1-adamantyl)imidazol-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

276
Patents

337.26437 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.27165 188.3
[M+Na]+ 360.25359 197.9
[M+NH4]+ 355.29819 204.5
[M+K]+ 376.22753 186.8
[M-H]- 336.25709 187.9
[M+Na-2H]- 358.23904 180.1
[M]+ 337.26382 190.2
[M]- 337.26492 190.2
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